CID 15957088

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

Structural Information

Molecular Formula
C20H21F2N3O4
SMILES
CN(C(=O)C1=NC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)F)F)COCCOC)O
InChI
InChI=1S/C20H21F2N3O4/c1-24(27)20(26)18-8-16-14(12-29-6-5-28-2)11-25(19(16)9-23-18)10-13-3-4-15(21)7-17(13)22/h3-4,7-9,11,27H,5-6,10,12H2,1-2H3
InChIKey
TYQIXUHAVSMVRY-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

405.15002 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15730 193.5
[M+Na]+ 428.13924 202.4
[M-H]- 404.14274 196.9
[M+NH4]+ 423.18384 204.4
[M+K]+ 444.11318 198.3
[M+H-H2O]+ 388.14728 182.1
[M+HCOO]- 450.14822 212.9
[M+CH3COO]- 464.16387 227.1
[M+Na-2H]- 426.12469 193.5
[M]+ 405.14947 199.5
[M]- 405.15057 199.5
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