CID 202542
Anthelvencin a
Structural Information
- Molecular Formula
- C19H25N9O3
- SMILES
- CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2)NC(=O)[C@@H]3CCC(=N3)N
- InChI
- InChI=1S/C19H25N9O3/c1-28-9-11(7-14(28)19(31)23-5-4-15(20)21)26-18(30)13-6-10(8-24-13)25-17(29)12-2-3-16(22)27-12/h6-9,12,24H,2-5H2,1H3,(H3,20,21)(H2,22,27)(H,23,31)(H,25,29)(H,26,30)/t12-/m0/s1
- InChIKey
- ZKNZAWGJQIYHNE-LBPRGKRZSA-N
- Compound name
- 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 428.21532 | 193.3 |
[M+Na]+ | 450.19726 | 194.8 |
[M-H]- | 426.20076 | 200.1 |
[M+NH4]+ | 445.24186 | 201.1 |
[M+K]+ | 466.17120 | 192.8 |
[M+H-H2O]+ | 410.20530 | 182.9 |
[M+HCOO]- | 472.20624 | 216.6 |
[M+CH3COO]- | 486.22189 | 239.6 |
[M+Na-2H]- | 448.18271 | 190.2 |
[M]+ | 427.20749 | 188.6 |
[M]- | 427.20859 | 188.6 |