CID 86296048

Vicasinabin

Structural Information

Molecular Formula
C15H22N10O
SMILES
CC(C)(C)C1=NC2=C(C(=N1)N3CC[C@@H](C3)O)N=NN2CC4=NN=NN4C
InChI
InChI=1S/C15H22N10O/c1-15(2,3)14-16-12(24-6-5-9(26)7-24)11-13(17-14)25(21-19-11)8-10-18-20-22-23(10)4/h9,26H,5-8H2,1-4H3/t9-/m0/s1
InChIKey
MAYZWDRUFKUGGP-VIFPVBQESA-N
Compound name
(3S)-1-[5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38253
Patents

358.1978 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20508 180.9
[M+Na]+ 381.18702 192.7
[M+NH4]+ 376.23162 183.5
[M+K]+ 397.16096 195.7
[M-H]- 357.19052 179.3
[M+Na-2H]- 379.17247 185.3
[M]+ 358.19725 181.8
[M]- 358.19835 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe