CID 3013461

Schembl5850690

Structural Information

Molecular Formula
C19H13ClFN3O2
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2CC4=C(C(=CC=C4)Cl)F)C(=O)NO
InChI
InChI=1S/C19H13ClFN3O2/c20-14-6-3-4-11(18(14)21)10-24-16-7-2-1-5-12(16)13-8-15(19(25)23-26)22-9-17(13)24/h1-9,26H,10H2,(H,23,25)
InChIKey
JBHRILBPDWAKSK-UHFFFAOYSA-N
Compound name
9-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

369.06802 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.07530 182.7
[M+Na]+ 392.05724 194.5
[M-H]- 368.06074 187.1
[M+NH4]+ 387.10184 196.4
[M+K]+ 408.03118 186.2
[M+H-H2O]+ 352.06528 173.3
[M+HCOO]- 414.06622 197.7
[M+CH3COO]- 428.08187 193.3
[M+Na-2H]- 390.04269 186.6
[M]+ 369.06747 186.6
[M]- 369.06857 186.6
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