CID 54727972

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

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)/O
InChI
InChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-
InChIKey
MUVPBAIVOHJDOC-VBKFSLOCSA-N
Compound name
(Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

278.10553 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 174.0
[M+Na]+ 301.09475 181.2
[M-H]- 277.09825 177.7
[M+NH4]+ 296.13935 186.6
[M+K]+ 317.06869 175.4
[M+H-H2O]+ 261.10279 159.8
[M+HCOO]- 323.10373 191.0
[M+CH3COO]- 337.11938 209.9
[M+Na-2H]- 299.08020 174.8
[M]+ 278.10498 166.1
[M]- 278.10608 166.1
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