CID 5387929

Nsc629814

Structural Information

Molecular Formula
C19H17N3O
SMILES
C1=CC=C(C=C1)CNC2=CC3=C(C=C2)NC4=C3C=C(N=C4)CO
InChI
InChI=1S/C19H17N3O/c23-12-15-9-17-16-8-14(20-10-13-4-2-1-3-5-13)6-7-18(16)22-19(17)11-21-15/h1-9,11,20,22-23H,10,12H2
InChIKey
PCESGKMKSBKSOT-UHFFFAOYSA-N
Compound name
[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.13718 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.144456 168.3
[M+Na]+ 326.126398 177.3
[M-H]- 302.129904 172.2
[M+NH4]+ 321.171003 182.8
[M+K]+ 342.100338 169.3
[M+H-H2O]+ 286.134440 159.4
[M+HCOO]- 348.135381 188.3
[M+CH3COO]- 362.151031 178.9
[M+Na-2H]- 324.111846 175.7
[M]+ 303.13663142 168.2
[M]- 303.13772858 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.