PubChemLite - 1-(cyclohexylamino)-3-(methyl[?]yl)propan-2-ol (C24H35N3O)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CC(CNC5CCCCC5)O

InChI

InChI=1S/C24H35N3O/c1-17-10-11-22-21(14-17)20-8-5-9-23-24(20)27(22)13-12-26(23)16-19(28)15-25-18-6-3-2-4-7-18/h10-11,14,18-19,23,25,28H,2-9,12-13,15-16H2,1H3

InChIKey

PJTRWWXFTNCDJO-UHFFFAOYSA-N

Compound name

1-(cyclohexylamino)-3-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-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]+	382.28528	192.7
[M+Na]+	404.26722	194.2
[M-H]-	380.27072	194.8
[M+NH4]+	399.31182	205.1
[M+K]+	420.24116	187.3
[M+H-H2O]+	364.27526	182.2
[M+HCOO]-	426.27620	200.7
[M+CH3COO]-	440.29185	198.5
[M+Na-2H]-	402.25267	191.8
[M]+	381.27745	186.0
[M]-	381.27855	186.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

382.28528

192.7

[M+Na]+

404.26722

194.2

[M-H]-

380.27072

194.8

[M+NH4]+

399.31182

205.1

[M+K]+

420.24116

187.3

[M+H-H2O]+

364.27526

182.2

[M+HCOO]-

426.27620

200.7

[M+CH3COO]-

440.29185

198.5

[M+Na-2H]-

402.25267

191.8

[M]+

381.27745

186.0

[M]-

381.27855

186.0

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

1-(cyclohexylamino)-3-(methyl[?]yl)propan-2-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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