CID 6852050

7-chloro-3-methyl-3h-[1,2,3]triazolo[4,5-d]pyrimidine

Structural Information

Molecular Formula
C5H4ClN5
SMILES
CN1C2=C(C(=NC=N2)Cl)N=N1
InChI
InChI=1S/C5H4ClN5/c1-11-5-3(9-10-11)4(6)7-2-8-5/h2H,1H3
InChIKey
DRLGKTNNLQRDHQ-UHFFFAOYSA-N
Compound name
7-chloro-3-methyltriazolo[4,5-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

169.01552 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02280 129.9
[M+Na]+ 192.00474 144.0
[M-H]- 168.00824 128.5
[M+NH4]+ 187.04934 147.6
[M+K]+ 207.97868 139.8
[M+H-H2O]+ 152.01278 121.2
[M+HCOO]- 214.01372 146.1
[M+CH3COO]- 228.02937 143.7
[M+Na-2H]- 189.99019 139.1
[M]+ 169.01497 134.1
[M]- 169.01607 134.1
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