CID 469803

210355-05-8

Structural Information

Molecular Formula
C13H16N6O
SMILES
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C=C4CC4CO
InChI
InChI=1S/C13H16N6O/c14-13-17-11(16-9-1-2-9)10-12(18-13)19(6-15-10)4-7-3-8(7)5-20/h4,6,8-9,20H,1-3,5H2,(H3,14,16,17,18)
InChIKey
DPTRQGRTNTZGFK-UHFFFAOYSA-N
Compound name
[2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

12
Patents

272.13855 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14583 182.5
[M+Na]+ 295.12777 192.8
[M-H]- 271.13127 186.9
[M+NH4]+ 290.17237 185.0
[M+K]+ 311.10171 184.0
[M+H-H2O]+ 255.13581 175.2
[M+HCOO]- 317.13675 200.6
[M+CH3COO]- 331.15240 189.8
[M+Na-2H]- 293.11322 183.5
[M]+ 272.13800 185.4
[M]- 272.13910 185.4
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