CID 16767723

7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H7ClN4O
SMILES
COCC1=NC2=NC=NN2C(=C1)Cl
InChI
InChI=1S/C7H7ClN4O/c1-13-3-5-2-6(8)12-7(11-5)9-4-10-12/h2,4H,3H2,1H3
InChIKey
NGAFBVWCOQBJAL-UHFFFAOYSA-N
Compound name
7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.03084 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03812 136.8
[M+Na]+ 221.02006 150.0
[M-H]- 197.02356 136.7
[M+NH4]+ 216.06466 154.8
[M+K]+ 236.99400 146.0
[M+H-H2O]+ 181.02810 128.6
[M+HCOO]- 243.02904 154.1
[M+CH3COO]- 257.04469 150.5
[M+Na-2H]- 219.00551 145.3
[M]+ 198.03029 142.8
[M]- 198.03139 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe