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]+ 262.049026 155.0
[M+Na]+ 284.030968 168.6
[M-H]- 260.034474 157.1
[M+NH4]+ 279.075573 169.2
[M+K]+ 300.004908 160.9
[M+H-H2O]+ 244.039010 146.1
[M+HCOO]- 306.039951 171.5
[M+CH3COO]- 320.055601 167.1
[M+Na-2H]- 282.016416 161.4
[M]+ 261.04120142 156.9
[M]- 261.04229858 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.