CID 131751013
Merodesmosine
Structural Information
- Molecular Formula
- C18H34N4O6
- SMILES
- C(CCNC/C(=C/CCCC(C(=O)O)N)/CCC(C(=O)O)N)CC(C(=O)O)N
- InChI
- InChI=1S/C18H34N4O6/c19-13(16(23)24)6-2-1-5-12(8-9-15(21)18(27)28)11-22-10-4-3-7-14(20)17(25)26/h5,13-15,22H,1-4,6-11,19-21H2,(H,23,24)(H,25,26)(H,27,28)/b12-5+
- InChIKey
- ZUXGPPMNMKSOEO-LFYBBSHMSA-N
- Compound name
- (E)-2,10-diamino-5-[[(5-amino-5-carboxypentyl)amino]methyl]undec-5-enedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.25511 | 194.8 |
[M+Na]+ | 425.23705 | 205.9 |
[M-H]- | 401.24055 | 201.0 |
[M+NH4]+ | 420.28165 | 193.2 |
[M+K]+ | 441.21099 | 197.3 |
[M+H-H2O]+ | 385.24509 | 190.8 |
[M+HCOO]- | 447.24603 | 182.1 |
[M+CH3COO]- | 461.26168 | 230.9 |
[M+Na-2H]- | 423.22250 | 188.6 |
[M]+ | 402.24728 | 180.2 |
[M]- | 402.24838 | 180.2 |
Literature stripe
No literature data available for this compound.