CID 66661267

Ethylhexyl methoxycrylene

Structural Information

Molecular Formula
C25H29NO3
SMILES
CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OC)C#N
InChI
InChI=1S/C25H29NO3/c1-4-6-10-19(5-2)18-29-25(27)23(17-26)24(20-11-8-7-9-12-20)21-13-15-22(28-3)16-14-21/h7-9,11-16,19H,4-6,10,18H2,1-3H3
InChIKey
WAJCJDLRJVDSSD-UHFFFAOYSA-N
Compound name
2-ethylhexyl 2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

539
Patents

391.21475 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22203 202.5
[M+Na]+ 414.20397 207.5
[M-H]- 390.20747 206.1
[M+NH4]+ 409.24857 211.7
[M+K]+ 430.17791 201.5
[M+H-H2O]+ 374.21201 186.9
[M+HCOO]- 436.21295 216.8
[M+CH3COO]- 450.22860 231.3
[M+Na-2H]- 412.18942 198.8
[M]+ 391.21420 200.1
[M]- 391.21530 200.1
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