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

13
Patents

355.1332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14048 182.4
[M+Na]+ 378.12242 191.4
[M-H]- 354.12592 185.6
[M+NH4]+ 373.16702 194.6
[M+K]+ 394.09636 185.1
[M+H-H2O]+ 338.13046 172.3
[M+HCOO]- 400.13140 202.8
[M+CH3COO]- 414.14705 213.6
[M+Na-2H]- 376.10787 184.7
[M]+ 355.13265 185.3
[M]- 355.13375 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