CID 130245

Descyclopropyl abacavir

Structural Information

Molecular Formula
C11H14N6O
SMILES
C1[C@@H](C=C[C@@H]1N2C=NC3=C(N=C(N=C32)N)N)CO
InChI
InChI=1S/C11H14N6O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h1-2,5-7,18H,3-4H2,(H4,12,13,15,16)/t6-,7+/m1/s1
InChIKey
ZKJUXHDSLJYKED-RQJHMYQMSA-N
Compound name
[(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

48
Patents

246.12291 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13019 152.6
[M+Na]+ 269.11213 163.2
[M-H]- 245.11563 154.9
[M+NH4]+ 264.15673 168.1
[M+K]+ 285.08607 158.3
[M+H-H2O]+ 229.12017 143.9
[M+HCOO]- 291.12111 173.8
[M+CH3COO]- 305.13676 164.4
[M+Na-2H]- 267.09758 155.8
[M]+ 246.12236 151.4
[M]- 246.12346 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe