CID 6481454

N-(6-guanidinohexyl)-1-methyl-9h-pyrido[3,4-b]indole-3-carboxamide

Structural Information

Molecular Formula
C20H26N6O
SMILES
CC1=C2C(=CC(=N1)C(=O)NCCCCCCN=C(N)N)C3=CC=CC=C3N2
InChI
InChI=1S/C20H26N6O/c1-13-18-15(14-8-4-5-9-16(14)26-18)12-17(25-13)19(27)23-10-6-2-3-7-11-24-20(21)22/h4-5,8-9,12,26H,2-3,6-7,10-11H2,1H3,(H,23,27)(H4,21,22,24)
InChIKey
ABHWWQGHMBQAJW-UHFFFAOYSA-N
Compound name
N-[6-(diaminomethylideneamino)hexyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.2168 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22408 186.4
[M+Na]+ 389.20602 191.8
[M-H]- 365.20952 188.3
[M+NH4]+ 384.25062 198.5
[M+K]+ 405.17996 185.9
[M+H-H2O]+ 349.21406 177.0
[M+HCOO]- 411.21500 208.0
[M+CH3COO]- 425.23065 228.2
[M+Na-2H]- 387.19147 189.8
[M]+ 366.21625 186.2
[M]- 366.21735 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.