CID 22571

Octocrylene

Structural Information

Molecular Formula
C24H27NO2
SMILES
CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N
InChI
InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
InChIKey
FMJSMJQBSVNSBF-UHFFFAOYSA-N
Compound name
2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

211
References

51317
Patents

361.2042 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 196.9
[M+Na]+ 384.19342 201.6
[M-H]- 360.19692 200.3
[M+NH4]+ 379.23802 207.0
[M+K]+ 400.16736 194.9
[M+H-H2O]+ 344.20146 181.4
[M+HCOO]- 406.20240 211.3
[M+CH3COO]- 420.21805 225.8
[M+Na-2H]- 382.17887 194.1
[M]+ 361.20365 192.5
[M]- 361.20475 192.5
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