CID 15957087

1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-3-(methoxymethyl)-n-methyl-

Structural Information

Molecular Formula
C18H18FN3O3
SMILES
CN(C(=O)C1=NC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)COC)O
InChI
InChI=1S/C18H18FN3O3/c1-21(24)18(23)16-7-15-13(11-25-2)10-22(17(15)8-20-16)9-12-3-5-14(19)6-4-12/h3-8,10,24H,9,11H2,1-2H3
InChIKey
BLXBQENQGSXSIQ-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

343.1332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14048 178.7
[M+Na]+ 366.12242 187.9
[M-H]- 342.12592 183.5
[M+NH4]+ 361.16702 192.1
[M+K]+ 382.09636 183.9
[M+H-H2O]+ 326.13046 168.6
[M+HCOO]- 388.13140 199.7
[M+CH3COO]- 402.14705 215.3
[M+Na-2H]- 364.10787 180.9
[M]+ 343.13265 183.3
[M]- 343.13375 183.3
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