CID 3013464

Schembl5851549

Structural Information

Molecular Formula
C19H13F2N3O2
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2CC4=C(C=C(C=C4)F)F)C(=O)NO
InChI
InChI=1S/C19H13F2N3O2/c20-12-6-5-11(15(21)7-12)10-24-17-4-2-1-3-13(17)14-8-16(19(25)23-26)22-9-18(14)24/h1-9,26H,10H2,(H,23,25)
InChIKey
DOZQZHQTEWNLPV-UHFFFAOYSA-N
Compound name
9-[(2,4-difluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

353.0976 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10488 179.3
[M+Na]+ 376.08682 190.4
[M-H]- 352.09032 182.7
[M+NH4]+ 371.13142 192.7
[M+K]+ 392.06076 183.0
[M+H-H2O]+ 336.09486 168.5
[M+HCOO]- 398.09580 197.8
[M+CH3COO]- 412.11145 189.7
[M+Na-2H]- 374.07227 183.1
[M]+ 353.09705 179.8
[M]- 353.09815 179.8
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