CID 15957046

Schembl4809762

Structural Information

Molecular Formula
C20H20F2N4O3
SMILES
C1COCCN1CC2=CN(C3=CN=C(C=C32)C(=O)NO)CC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C20H20F2N4O3/c21-15-2-1-13(17(22)7-15)11-26-12-14(10-25-3-5-29-6-4-25)16-8-18(20(27)24-28)23-9-19(16)26/h1-2,7-9,12,28H,3-6,10-11H2,(H,24,27)
InChIKey
PWNFLCZEUVMECK-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

402.15036 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15764 193.8
[M+Na]+ 425.13958 201.4
[M-H]- 401.14308 197.6
[M+NH4]+ 420.18418 200.8
[M+K]+ 441.11352 195.6
[M+H-H2O]+ 385.14762 181.1
[M+HCOO]- 447.14856 207.1
[M+CH3COO]- 461.16421 201.6
[M+Na-2H]- 423.12503 193.9
[M]+ 402.14981 191.6
[M]- 402.15091 191.6
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