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

4
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

patents stripe