CID 3013465

Schembl5851464

Structural Information

Molecular Formula
C19H12ClF2N3O2
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2CC4=C(C=CC(=C4F)Cl)F)C(=O)NO
InChI
InChI=1S/C19H12ClF2N3O2/c20-13-5-6-14(21)12(18(13)22)9-25-16-4-2-1-3-10(16)11-7-15(19(26)24-27)23-8-17(11)25/h1-8,27H,9H2,(H,24,26)
InChIKey
BXNMCCAUNWEGSF-UHFFFAOYSA-N
Compound name
9-[(3-chloro-2,6-difluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

387.05862 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06590 185.9
[M+Na]+ 410.04784 198.6
[M-H]- 386.05134 189.4
[M+NH4]+ 405.09244 199.1
[M+K]+ 426.02178 189.9
[M+H-H2O]+ 370.05588 175.7
[M+HCOO]- 432.05682 199.8
[M+CH3COO]- 446.07247 196.2
[M+Na-2H]- 408.03329 188.5
[M]+ 387.05807 189.3
[M]- 387.05917 189.3
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