PubChemLite - Pazelliptine (C22H27N5)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCNC1=NC=CC2=C(C3=C(C=C21)C4=C(N3)C=CN=C4)C

InChI

InChI=1S/C22H27N5/c1-4-27(5-2)12-6-9-24-22-18-13-17-19-14-23-10-8-20(19)26-21(17)15(3)16(18)7-11-25-22/h7-8,10-11,13-14,26H,4-6,9,12H2,1-3H3,(H,24,25)

InChIKey

LPHSYQSMAGVYNT-UHFFFAOYSA-N

Compound name

N',N'-diethyl-N-(2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)propane-1,3-diamine

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]+	362.23393	189.8
[M+Na]+	384.21587	204.7
[M+NH4]+	379.26047	197.8
[M+K]+	400.18981	196.9
[M-H]-	360.21937	193.8
[M+Na-2H]-	382.20132	195.8
[M]+	361.22610	193.1
[M]-	361.22720	193.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

362.23393

189.8

[M+Na]+

384.21587

204.7

[M+NH4]+

379.26047

197.8

[M+K]+

400.18981

196.9

[M-H]-

360.21937

193.8

[M+Na-2H]-

382.20132

195.8

[M]+

361.22610

193.1

[M]-

361.22720

193.1

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

Pazelliptine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe