CID 446382
Phenylalanine-n-sulfonamide
Structural Information
- Molecular Formula
- C9H12N2O4S
- SMILES
- C1=CC=C(C=C1)C[C@@H](C(=O)O)NS(=O)(=O)N
- InChI
- InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1
- InChIKey
- PHGMHLLGXKQIDY-QMMMGPOBSA-N
- Compound name
- (2S)-3-phenyl-2-(sulfamoylamino)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 245.05905 | 150.4 |
[M+Na]+ | 267.04099 | 155.6 |
[M-H]- | 243.04449 | 151.8 |
[M+NH4]+ | 262.08559 | 165.9 |
[M+K]+ | 283.01493 | 152.8 |
[M+H-H2O]+ | 227.04903 | 143.8 |
[M+HCOO]- | 289.04997 | 167.1 |
[M+CH3COO]- | 303.06562 | 189.9 |
[M+Na-2H]- | 265.02644 | 153.5 |
[M]+ | 244.05122 | 149.6 |
[M]- | 244.05232 | 149.6 |