CID 476462
Mexwdfouvfaesd-djldldebsa-n
Structural Information
- Molecular Formula
- C13H17N9O2
- SMILES
- C1CN(C1)C2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)N=[N+]=[N-])N
- InChI
- InChI=1S/C13H17N9O2/c14-13-17-11(21-2-1-3-21)10-12(18-13)22(6-16-10)9-4-7(19-20-15)8(5-23)24-9/h6-9,23H,1-5H2,(H2,14,17,18)/t7-,8+,9+/m0/s1
- InChIKey
- MEXWDFOUVFAESD-DJLDLDEBSA-N
- Compound name
- [(2S,3S,5R)-5-[2-amino-6-(azetidin-1-yl)purin-9-yl]-3-azidooxolan-2-yl]methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 332.15778 | 169.3 |
[M+Na]+ | 354.13972 | 173.7 |
[M-H]- | 330.14322 | 175.6 |
[M+NH4]+ | 349.18432 | 171.9 |
[M+K]+ | 370.11366 | 169.7 |
[M+H-H2O]+ | 314.14776 | 156.1 |
[M+HCOO]- | 376.14870 | 189.6 |
[M+CH3COO]- | 390.16435 | 213.9 |
[M+Na-2H]- | 352.12517 | 175.4 |
[M]+ | 331.14995 | 173.9 |
[M]- | 331.15105 | 173.9 |