CID 3013459

9-(4-fluorobenzyl)-n-hydroxy-9h-beta-carboline-3-carboxamide

Structural Information

Molecular Formula
C19H14FN3O2
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2CC4=CC=C(C=C4)F)C(=O)NO
InChI
InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
InChIKey
ADHFMENDOUEJRK-UHFFFAOYSA-N
Compound name
9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1953
Patents

335.107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11428 175.6
[M+Na]+ 358.09622 185.7
[M-H]- 334.09972 180.0
[M+NH4]+ 353.14082 189.5
[M+K]+ 374.07016 178.8
[M+H-H2O]+ 318.10426 165.6
[M+HCOO]- 380.10520 195.2
[M+CH3COO]- 394.12085 186.3
[M+Na-2H]- 356.08167 180.8
[M]+ 335.10645 176.7
[M]- 335.10755 176.7
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

No patent data available for this compound.