CID 3067704
Brn 3182375
Structural Information
- Molecular Formula
- C16H22N2O8S
- SMILES
- CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)OC
- InChI
- InChI=1S/C16H22N2O8S/c1-4-26-16(21)17-11-5-7-12(8-6-11)27(22,23)18-13(15(20)25-3)9-10-14(19)24-2/h5-8,13,18H,4,9-10H2,1-3H3,(H,17,21)/t13-/m0/s1
- InChIKey
- RVXPTLLPMARPBX-ZDUSSCGKSA-N
- Compound name
- dimethyl (2S)-2-[[4-(ethoxycarbonylamino)phenyl]sulfonylamino]pentanedioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.11696 | 189.0 |
[M+Na]+ | 425.09890 | 191.4 |
[M-H]- | 401.10240 | 191.4 |
[M+NH4]+ | 420.14350 | 198.7 |
[M+K]+ | 441.07284 | 191.3 |
[M+H-H2O]+ | 385.10694 | 180.8 |
[M+HCOO]- | 447.10788 | 204.7 |
[M+CH3COO]- | 461.12353 | 221.4 |
[M+Na-2H]- | 423.08435 | 189.0 |
[M]+ | 402.10913 | 196.7 |
[M]- | 402.11023 | 196.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.