CID 17754151
5-iodo-5,6-dihydro-6-azatubercidin
Structural Information
- Molecular Formula
- C10H14IN5O4
- SMILES
- C1=NC(=C2[C@H](NN(C2=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)I)N
- InChI
- InChI=1S/C10H14IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-7,10,15,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,7+,10-/m1/s1
- InChIKey
- IPMOTTQXPAXTMS-CKVFBBIQSA-N
- Compound name
- (2R,3R,4S,5R)-2-[(3R)-4-amino-3-iodo-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 396.01634 | 171.0 |
[M+Na]+ | 417.99828 | 172.4 |
[M-H]- | 394.00178 | 163.4 |
[M+NH4]+ | 413.04288 | 177.4 |
[M+K]+ | 433.97222 | 174.5 |
[M+H-H2O]+ | 378.00632 | 160.4 |
[M+HCOO]- | 440.00726 | 178.0 |
[M+CH3COO]- | 454.02291 | 175.8 |
[M+Na-2H]- | 415.98373 | 158.4 |
[M]+ | 395.00851 | 164.7 |
[M]- | 395.00961 | 164.7 |