PubChemLite - N,n'''-di-(gamma-diethylamino-beta-hydroxypropyl)-n',n''-dispirotripiperazinium dichloride (C26H56N6O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CC(CN1CC[N+]2(CC1)CC[N+]3(CCN(CC3)CC(CN(CC)CC)O)CC2)O

InChI

InChI=1S/C26H56N6O2/c1-5-27(6-2)21-25(33)23-29-9-13-31(14-10-29)17-19-32(20-18-31)15-11-30(12-16-32)24-26(34)22-28(7-3)8-4/h25-26,33-34H,5-24H2,1-4H3/q+2

InChIKey

OXSHNEQZRPBCFU-UHFFFAOYSA-N

Compound name

1-(diethylamino)-3-[12-[3-(diethylamino)-2-hydroxypropyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-2-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	485.45375	216.1
[M+Na]+	507.43569	210.2
[M-H]-	483.43919	214.2
[M+NH4]+	502.48029	220.6
[M+K]+	523.40963	197.1
[M+H-H2O]+	467.44373	209.5
[M+HCOO]-	529.44467	217.0
[M+CH3COO]-	543.46032	231.5
[M+Na-2H]-	505.42114	217.3
[M]+	484.44592	204.2
[M]-	484.44702	204.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.45375

216.1

[M+Na]+

507.43569

210.2

[M-H]-

483.43919

214.2

[M+NH4]+

502.48029

220.6

[M+K]+

523.40963

197.1

[M+H-H2O]+

467.44373

209.5

[M+HCOO]-

529.44467

217.0

[M+CH3COO]-

543.46032

231.5

[M+Na-2H]-

505.42114

217.3

[M]+

484.44592

204.2

[M]-

484.44702

204.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N,n'''-di-(gamma-diethylamino-beta-hydroxypropyl)-n',n''-dispirotripiperazinium dichloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe