CID 7408178
80745-10-4
Structural Information
- Molecular Formula
- C16H26N4O5S
- SMILES
- CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N)N)C)C)OC
- InChI
- InChI=1S/C16H26N4O5S/c1-9-8-13(25-4)10(2)11(3)14(9)26(23,24)20-16(18)19-7-5-6-12(17)15(21)22/h8,12H,5-7,17H2,1-4H3,(H,21,22)(H3,18,19,20)/t12-/m0/s1
- InChIKey
- FUSAEZSSVDNYPO-LBPRGKRZSA-N
- Compound name
- (2S)-2-amino-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]pentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 387.16966 | 189.3 |
[M+Na]+ | 409.15160 | 192.9 |
[M-H]- | 385.15510 | 191.3 |
[M+NH4]+ | 404.19620 | 199.4 |
[M+K]+ | 425.12554 | 190.5 |
[M+H-H2O]+ | 369.15964 | 181.0 |
[M+HCOO]- | 431.16058 | 205.4 |
[M+CH3COO]- | 445.17623 | 230.0 |
[M+Na-2H]- | 407.13705 | 186.4 |
[M]+ | 386.16183 | 191.5 |
[M]- | 386.16293 | 191.5 |