CID 135633641

7-amino-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-5(4h)-one

Structural Information

Molecular Formula
C11H8ClN5O
SMILES
C1=CC(=CC=C1C2=NN3C(=CC(=O)NC3=N2)N)Cl
InChI
InChI=1S/C11H8ClN5O/c12-7-3-1-6(2-4-7)10-15-11-14-9(18)5-8(13)17(11)16-10/h1-5H,13H2,(H,14,15,16,18)
InChIKey
HHEGPLQDCOLCQZ-UHFFFAOYSA-N
Compound name
7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04175 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04903 155.0
[M+Na]+ 284.03097 168.6
[M-H]- 260.03447 157.1
[M+NH4]+ 279.07557 169.2
[M+K]+ 300.00491 160.9
[M+H-H2O]+ 244.03901 146.1
[M+HCOO]- 306.03995 171.5
[M+CH3COO]- 320.05560 167.1
[M+Na-2H]- 282.01642 161.4
[M]+ 261.04120 156.9
[M]- 261.04230 156.9
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

No patent data available for this compound.