CID 11565832

Schembl4801027

Structural Information

Molecular Formula
C17H14FN3O2
SMILES
C=CC1=C2C=CN(C2=CN=C1C(=O)NO)CC3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FN3O2/c1-2-13-14-7-8-21(10-11-3-5-12(18)6-4-11)15(14)9-19-16(13)17(22)20-23/h2-9,23H,1,10H2,(H,20,22)
InChIKey
PVJPRPAHSRSZRY-UHFFFAOYSA-N
Compound name
4-ethenyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

311.107 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11428 170.3
[M+Na]+ 334.09622 180.5
[M-H]- 310.09972 173.9
[M+NH4]+ 329.14082 184.4
[M+K]+ 350.07016 173.9
[M+H-H2O]+ 294.10426 160.8
[M+HCOO]- 356.10520 191.3
[M+CH3COO]- 370.12085 206.2
[M+Na-2H]- 332.08167 173.6
[M]+ 311.10645 171.3
[M]- 311.10755 171.3
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