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]+ 332.139356 177.5
[M+Na]+ 354.121298 187.1
[M-H]- 330.124804 183.1
[M+NH4]+ 349.165903 191.6
[M+K]+ 370.095238 180.4
[M+H-H2O]+ 314.129340 168.2
[M+HCOO]- 376.130281 197.8
[M+CH3COO]- 390.145931 188.3
[M+Na-2H]- 352.106746 182.7
[M]+ 331.13153142 179.8
[M]- 331.13262858 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