CID 16768222

7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H7ClN4
SMILES
CCC1=NC2=NC=NN2C(=C1)Cl
InChI
InChI=1S/C7H7ClN4/c1-2-5-3-6(8)12-7(11-5)9-4-10-12/h3-4H,2H2,1H3
InChIKey
QWSTYGSBBPKJAM-UHFFFAOYSA-N
Compound name
7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

182.03592 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04320 134.2
[M+Na]+ 205.02514 147.5
[M-H]- 181.02864 134.0
[M+NH4]+ 200.06974 152.9
[M+K]+ 220.99908 143.0
[M+H-H2O]+ 165.03318 126.1
[M+HCOO]- 227.03412 151.3
[M+CH3COO]- 241.04977 148.0
[M+Na-2H]- 203.01059 142.6
[M]+ 182.03537 138.8
[M]- 182.03647 138.8
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