CID 15957054

Schembl3495549

Structural Information

Molecular Formula
C19H18FN3O3
SMILES
CCO/C=C/C1=C2C=CN(C2=CN=C1C(=O)NO)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H18FN3O3/c1-2-26-10-8-16-15-7-9-23(12-13-3-5-14(20)6-4-13)17(15)11-21-18(16)19(24)22-25/h3-11,25H,2,12H2,1H3,(H,22,24)/b10-8+
InChIKey
NVWAHQFNKXTODT-CSKARUKUSA-N
Compound name
4-[(E)-2-ethoxyethenyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

355.1332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.140476 182.4
[M+Na]+ 378.122418 191.4
[M-H]- 354.125924 185.6
[M+NH4]+ 373.167023 194.6
[M+K]+ 394.096358 185.1
[M+H-H2O]+ 338.130460 172.3
[M+HCOO]- 400.131401 202.8
[M+CH3COO]- 414.147051 213.6
[M+Na-2H]- 376.107866 184.7
[M]+ 355.13265142 185.3
[M]- 355.13374858 185.3
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