CID 3013463

Schembl5850855

Structural Information

Molecular Formula
C20H17N3O2
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3C4=CC(=NC=C42)C(=O)NO
InChI
InChI=1S/C20H17N3O2/c1-13-6-8-14(9-7-13)12-23-18-5-3-2-4-15(18)16-10-17(20(24)22-25)21-11-19(16)23/h2-11,25H,12H2,1H3,(H,22,24)
InChIKey
QQVMWBXFKSHSAZ-UHFFFAOYSA-N
Compound name
N-hydroxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

331.13208 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 177.5
[M+Na]+ 354.12130 187.1
[M-H]- 330.12480 183.1
[M+NH4]+ 349.16590 191.6
[M+K]+ 370.09524 180.4
[M+H-H2O]+ 314.12934 168.2
[M+HCOO]- 376.13028 197.8
[M+CH3COO]- 390.14593 188.3
[M+Na-2H]- 352.10675 182.7
[M]+ 331.13153 179.8
[M]- 331.13263 179.8
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