CID 57614757

10-undecenyl 2-cyano-3,3-diphenylpropenoate

Structural Information

Molecular Formula
C27H31NO2
SMILES
C=CCCCCCCCCCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N
InChI
InChI=1S/C27H31NO2/c1-2-3-4-5-6-7-8-9-16-21-30-27(29)25(22-28)26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h2,10-15,17-20H,1,3-9,16,21H2
InChIKey
ZMIFHAGGIBCROR-UHFFFAOYSA-N
Compound name
undec-10-enyl 2-cyano-3,3-diphenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

401.23547 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.24275 207.6
[M+Na]+ 424.22469 211.6
[M-H]- 400.22819 210.4
[M+NH4]+ 419.26929 216.2
[M+K]+ 440.19863 203.2
[M+H-H2O]+ 384.23273 191.4
[M+HCOO]- 446.23367 222.1
[M+CH3COO]- 460.24932 232.2
[M+Na-2H]- 422.21014 204.4
[M]+ 401.23492 204.0
[M]- 401.23602 204.0
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