CID 54723327

(2z)-n-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide

Structural Information

Molecular Formula
C19H16N2O2
SMILES
C1CC1/C(=C(\C#N)/C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)/O
InChI
InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17-
InChIKey
CAGGGMPTWTUYHZ-ZCXUNETKSA-N
Compound name
(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-phenylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.1212 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 170.5
[M+Na]+ 327.11042 182.9
[M-H]- 303.11392 178.9
[M+NH4]+ 322.15502 179.8
[M+K]+ 343.08436 173.2
[M+H-H2O]+ 287.11846 159.2
[M+HCOO]- 349.11940 189.6
[M+CH3COO]- 363.13505 215.8
[M+Na-2H]- 325.09587 173.4
[M]+ 304.12065 166.5
[M]- 304.12175 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.