CID 11158091
C-di-amp
Structural Information
- Molecular Formula
- C20H24N10O12P2
- SMILES
- C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)O)O
- InChI
- InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
- InChIKey
- PDXMFTWFFKBFIN-XPWFQUROSA-N
- Compound name
- (1S,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 659.11232 | 200.2 |
[M+Na]+ | 681.09426 | 203.4 |
[M-H]- | 657.09776 | 190.6 |
[M+NH4]+ | 676.13886 | 199.4 |
[M+K]+ | 697.06820 | 204.2 |
[M+H-H2O]+ | 641.10230 | 190.7 |
[M+HCOO]- | 703.10324 | 201.6 |
[M+CH3COO]- | 717.11889 | 206.0 |
[M+Na-2H]- | 679.07971 | 190.2 |
[M]+ | 658.10449 | 202.1 |
[M]- | 658.10559 | 202.1 |