CID 9600417
Oximinoarylsulfonamide
Structural Information
- Molecular Formula
- C34H46N6O6S2
- SMILES
- CC1=NC(=CS1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CN(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)/C=N/O)O
- InChI
- InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-11-27(12-14-29)18-35-44)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-47-25(5)36-28/h6-14,18,22-24,30-32,41,44H,15-17,19-21H2,1-5H3,(H,37,42)/b35-18+/t30-,31+,32-/m0/s1
- InChIKey
- PJLSJXTZOMOVBI-KKWNBLJUSA-N
- Compound name
- (2S)-N-[(2S,3R)-3-hydroxy-4-[[4-[(E)-hydroxyiminomethyl]phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 699.29933 | 256.3 |
[M+Na]+ | 721.28127 | 252.4 |
[M-H]- | 697.28477 | 263.7 |
[M+NH4]+ | 716.32587 | 253.2 |
[M+K]+ | 737.25521 | 250.4 |
[M+H-H2O]+ | 681.28931 | 248.3 |
[M+HCOO]- | 743.29025 | 258.5 |
[M+CH3COO]- | 757.30590 | 279.9 |
[M+Na-2H]- | 719.26672 | 250.0 |
[M]+ | 698.29150 | 261.0 |
[M]- | 698.29260 | 261.0 |