CID 3013462

Schembl5850826

Structural Information

Molecular Formula
C19H15N3O2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=CC(=NC=C42)C(=O)NO
InChI
InChI=1S/C19H15N3O2/c23-19(21-24)16-10-15-14-8-4-5-9-17(14)22(18(15)11-20-16)12-13-6-2-1-3-7-13/h1-11,24H,12H2,(H,21,23)
InChIKey
KTVFRPWENBYECR-UHFFFAOYSA-N
Compound name
9-benzyl-N-hydroxypyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

317.11642 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 171.9
[M+Na]+ 340.10564 181.1
[M-H]- 316.10914 177.3
[M+NH4]+ 335.15024 186.3
[M+K]+ 356.07958 174.6
[M+H-H2O]+ 300.11368 162.7
[M+HCOO]- 362.11462 192.6
[M+CH3COO]- 376.13027 182.9
[M+Na-2H]- 338.09109 178.5
[M]+ 317.11587 173.5
[M]- 317.11697 173.5
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

patents stripe