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]+ 304.14446 168.3
[M+Na]+ 326.12640 177.3
[M-H]- 302.12990 172.2
[M+NH4]+ 321.17100 182.8
[M+K]+ 342.10034 169.3
[M+H-H2O]+ 286.13444 159.4
[M+HCOO]- 348.13538 188.3
[M+CH3COO]- 362.15103 178.9
[M+Na-2H]- 324.11185 175.7
[M]+ 303.13663 168.2
[M]- 303.13773 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.