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]+ 318.123696 171.9
[M+Na]+ 340.105638 181.1
[M-H]- 316.109144 177.3
[M+NH4]+ 335.150243 186.3
[M+K]+ 356.079578 174.6
[M+H-H2O]+ 300.113680 162.7
[M+HCOO]- 362.114621 192.6
[M+CH3COO]- 376.130271 182.9
[M+Na-2H]- 338.091086 178.5
[M]+ 317.11587142 173.5
[M]- 317.11696858 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