CID 11660146

Chembl578592

Structural Information

Molecular Formula
C19H20FN3O2
SMILES
CC(C)CN(C(=O)C1=NC=C2C(=C1)C=CN2CC3=CC=C(C=C3)F)O
InChI
InChI=1S/C19H20FN3O2/c1-13(2)11-23(25)19(24)17-9-15-7-8-22(18(15)10-21-17)12-14-3-5-16(20)6-4-14/h3-10,13,25H,11-12H2,1-2H3
InChIKey
GVMVZUXQCWNZJU-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(2-methylpropyl)pyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

341.15396 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16124 180.3
[M+Na]+ 364.14318 188.0
[M-H]- 340.14668 184.6
[M+NH4]+ 359.18778 193.4
[M+K]+ 380.11712 183.6
[M+H-H2O]+ 324.15122 170.1
[M+HCOO]- 386.15216 199.8
[M+CH3COO]- 400.16781 215.7
[M+Na-2H]- 362.12863 181.4
[M]+ 341.15341 182.8
[M]- 341.15451 182.8
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