CID 49866859
Pd053014
Structural Information
- Molecular Formula
- C9H18N4O4S
- SMILES
- C(C[C@@H](C(=O)O)N)CN=C(N)SC[C@@H](C(=O)O)N
- InChI
- InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1
- InChIKey
- FBDBZWJNHYXEKT-WDSKDSINSA-N
- Compound name
- (2S)-2-amino-5-[[amino-[(2R)-2-amino-2-carboxyethyl]sulfanylmethylidene]amino]pentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 279.11218 | 163.0 |
[M+Na]+ | 301.09412 | 163.8 |
[M-H]- | 277.09762 | 159.2 |
[M+NH4]+ | 296.13872 | 175.5 |
[M+K]+ | 317.06806 | 162.5 |
[M+H-H2O]+ | 261.10216 | 155.0 |
[M+HCOO]- | 323.10310 | 176.8 |
[M+CH3COO]- | 337.11875 | 205.5 |
[M+Na-2H]- | 299.07957 | 157.8 |
[M]+ | 278.10435 | 159.1 |
[M]- | 278.10545 | 159.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.