CID 135399235

Zaprinast

Structural Information

Molecular Formula
C13H13N5O2
SMILES
CCCOC1=CC=CC=C1C2=NC3=NNN=C3C(=O)N2
InChI
InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
InChIKey
REZGGXNDEMKIQB-UHFFFAOYSA-N
Compound name
5-(2-propoxyphenyl)-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

777
References

7388
Patents

271.10693 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11421 161.2
[M+Na]+ 294.09615 176.1
[M+NH4]+ 289.14075 166.6
[M+K]+ 310.07009 171.7
[M-H]- 270.09965 161.5
[M+Na-2H]- 292.08160 168.1
[M]+ 271.10638 163.2
[M]- 271.10748 163.2
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