CID 112459
2-propenoic acid, 3-(4-cyanophenyl)-, 4-butylphenyl ester
Structural Information
- Molecular Formula
- C20H19NO2
- SMILES
- CCCCC1=CC=C(C=C1)OC(=O)C=CC2=CC=C(C=C2)C#N
- InChI
- InChI=1S/C20H19NO2/c1-2-3-4-16-9-12-19(13-10-16)23-20(22)14-11-17-5-7-18(15-21)8-6-17/h5-14H,2-4H2,1H3
- InChIKey
- OYKLNRSYVCUPKA-UHFFFAOYSA-N
- Compound name
- (4-butylphenyl) 3-(4-cyanophenyl)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 306.14885 | 177.2 |
[M+Na]+ | 328.13079 | 186.0 |
[M-H]- | 304.13429 | 182.0 |
[M+NH4]+ | 323.17539 | 190.3 |
[M+K]+ | 344.10473 | 179.1 |
[M+H-H2O]+ | 288.13883 | 162.6 |
[M+HCOO]- | 350.13977 | 195.7 |
[M+CH3COO]- | 364.15542 | 215.1 |
[M+Na-2H]- | 326.11624 | 178.6 |
[M]+ | 305.14102 | 174.1 |
[M]- | 305.14212 | 174.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.