CID 5278758
Schembl6240878
Structural Information
- Molecular Formula
- C29H32F5N3O5
- SMILES
- CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC(=CC=C2)C(F)(F)F)[C@@H](C(=O)N3CC(C([C@H]3C(=O)NCC=C)(C)C)(F)F)O
- InChI
- InChI=1S/C29H32F5N3O5/c1-5-12-35-25(41)23-27(3,4)28(30,31)15-37(23)26(42)22(39)20(14-17-8-6-9-18(13-17)29(32,33)34)36-24(40)19-10-7-11-21(38)16(19)2/h5-11,13,20,22-23,38-39H,1,12,14-15H2,2-4H3,(H,35,41)(H,36,40)/t20-,22-,23+/m0/s1
- InChIKey
- ANVAIEIGLZLEMB-ACIOBRDBSA-N
- Compound name
- (2S)-4,4-difluoro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-[3-(trifluoromethyl)phenyl]butanoyl]-3,3-dimethyl-N-prop-2-enylpyrrolidine-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 598.23348 | 233.7 |
[M+Na]+ | 620.21542 | 237.4 |
[M-H]- | 596.21892 | 232.9 |
[M+NH4]+ | 615.26002 | 238.7 |
[M+K]+ | 636.18936 | 233.1 |
[M+H-H2O]+ | 580.22346 | 223.4 |
[M+HCOO]- | 642.22440 | 239.9 |
[M+CH3COO]- | 656.24005 | 260.4 |
[M+Na-2H]- | 618.20087 | 225.8 |
[M]+ | 597.22565 | 227.4 |
[M]- | 597.22675 | 227.4 |
Literature stripe
No literature data available for this compound.