CID 135151360

Azd-7648

Structural Information

Molecular Formula
C18H20N8O2
SMILES
CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCOCC5
InChI
InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)
InChIKey
XISVSTPEXYIKJL-UHFFFAOYSA-N
Compound name
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

322
Patents

380.17093 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.178206 191.7
[M+Na]+ 403.160148 203.7
[M-H]- 379.163654 196.9
[M+NH4]+ 398.204753 198.0
[M+K]+ 419.134088 197.1
[M+H-H2O]+ 363.168190 179.6
[M+HCOO]- 425.169131 206.2
[M+CH3COO]- 439.184781 200.7
[M+Na-2H]- 401.145596 193.5
[M]+ 380.17038142 195.0
[M]- 380.17147858 195.0
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