CID 10178334
N-acetyl-n-[3-(trifluoromethyl)phenyl]valylglycine ethyl ester
Structural Information
- Molecular Formula
- C18H23F3N2O4
- SMILES
- CCOC(=O)CNC(=O)C(C(C)C)N(C1=CC=CC(=C1)C(F)(F)F)C(=O)C
- InChI
- InChI=1S/C18H23F3N2O4/c1-5-27-15(25)10-22-17(26)16(11(2)3)23(12(4)24)14-8-6-7-13(9-14)18(19,20)21/h6-9,11,16H,5,10H2,1-4H3,(H,22,26)
- InChIKey
- CDJIOUMBOYYMEC-UHFFFAOYSA-N
- Compound name
- ethyl 2-[[2-[N-acetyl-3-(trifluoromethyl)anilino]-3-methylbutanoyl]amino]acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 389.16826 | 188.9 |
[M+Na]+ | 411.15020 | 192.0 |
[M-H]- | 387.15370 | 189.1 |
[M+NH4]+ | 406.19480 | 200.0 |
[M+K]+ | 427.12414 | 191.9 |
[M+H-H2O]+ | 371.15824 | 178.8 |
[M+HCOO]- | 433.15918 | 204.9 |
[M+CH3COO]- | 447.17483 | 228.6 |
[M+Na-2H]- | 409.13565 | 185.1 |
[M]+ | 388.16043 | 188.4 |
[M]- | 388.16153 | 188.4 |
Literature stripe
No literature data available for this compound.