CID 20836255
(e)-4-((1-(2-piperidinophenyl)-1-buten-1-yl)aminocarbonylmethyl)benzoic acid
Structural Information
- Molecular Formula
- C24H28N2O3
- SMILES
- CC/C=C(\C1=CC=CC=C1N2CCCCC2)/NC(=O)CC3=CC=C(C=C3)C(=O)O
- InChI
- InChI=1S/C24H28N2O3/c1-2-8-21(20-9-4-5-10-22(20)26-15-6-3-7-16-26)25-23(27)17-18-11-13-19(14-12-18)24(28)29/h4-5,8-14H,2-3,6-7,15-17H2,1H3,(H,25,27)(H,28,29)/b21-8+
- InChIKey
- GZVRIPWGWKOZJZ-ODCIPOBUSA-N
- Compound name
- 4-[2-oxo-2-[[(E)-1-(2-piperidin-1-ylphenyl)but-1-enyl]amino]ethyl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 393.21728 | 196.7 |
[M+Na]+ | 415.19922 | 197.3 |
[M-H]- | 391.20272 | 201.7 |
[M+NH4]+ | 410.24382 | 204.2 |
[M+K]+ | 431.17316 | 191.9 |
[M+H-H2O]+ | 375.20726 | 186.1 |
[M+HCOO]- | 437.20820 | 210.9 |
[M+CH3COO]- | 451.22385 | 221.7 |
[M+Na-2H]- | 413.18467 | 194.3 |
[M]+ | 392.20945 | 191.1 |
[M]- | 392.21055 | 191.1 |
Literature stripe
No literature data available for this compound.