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

literature stripe

Patent stripe

patents stripe