CID 10089028

Schembl2946969

Structural Information

Molecular Formula
C17H15F2N3O3
SMILES
COCC1=C2C=CN(C2=CN=C1C(=O)NO)CC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C17H15F2N3O3/c1-25-9-13-12-4-5-22(8-10-2-3-11(18)6-14(10)19)15(12)7-20-16(13)17(23)21-24/h2-7,24H,8-9H2,1H3,(H,21,23)
InChIKey
NRWFMBUBVREQBJ-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-4-(methoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

347.10815 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11543 177.0
[M+Na]+ 370.09737 187.5
[M-H]- 346.10087 179.5
[M+NH4]+ 365.14197 189.8
[M+K]+ 386.07131 181.8
[M+H-H2O]+ 330.10541 166.5
[M+HCOO]- 392.10635 196.8
[M+CH3COO]- 406.12200 213.0
[M+Na-2H]- 368.08282 179.1
[M]+ 347.10760 179.4
[M]- 347.10870 179.4
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