CID 718070

3-(4-(benzyloxy)phenyl)-2-cyanoacrylamide

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C17H14N2O2/c18-11-15(17(19)20)10-13-6-8-16(9-7-13)21-12-14-4-2-1-3-5-14/h1-10H,12H2,(H2,19,20)/b15-10+
InChIKey
SIAMCDIHXZUXRD-XNTDXEJSSA-N
Compound name
(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 172.3
[M+Na]+ 301.094748 180.0
[M-H]- 277.098254 176.5
[M+NH4]+ 296.139353 185.2
[M+K]+ 317.068688 174.1
[M+H-H2O]+ 261.102790 157.6
[M+HCOO]- 323.103731 190.9
[M+CH3COO]- 337.119381 211.3
[M+Na-2H]- 299.080196 173.7
[M]+ 278.10498142 165.7
[M]- 278.10607858 165.7
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.