CID 3013467

Schembl5849422

Structural Information

Molecular Formula
C20H16FN3O2
SMILES
CN(C(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C20H16FN3O2/c1-23(26)20(25)17-10-16-15-4-2-3-5-18(15)24(19(16)11-22-17)12-13-6-8-14(21)9-7-13/h2-11,26H,12H2,1H3
InChIKey
RYZKQKZUMWOKKS-UHFFFAOYSA-N
Compound name
9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

349.12265 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12993 180.8
[M+Na]+ 372.11187 190.5
[M-H]- 348.11537 186.4
[M+NH4]+ 367.15647 194.7
[M+K]+ 388.08581 184.7
[M+H-H2O]+ 332.11991 170.4
[M+HCOO]- 394.12085 200.5
[M+CH3COO]- 408.13650 191.5
[M+Na-2H]- 370.09732 184.7
[M]+ 349.12210 183.4
[M]- 349.12320 183.4
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