CID 2560531

1-(chloromethyl)-4-methyl-4h,5h-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Structural Information

Molecular Formula
C11H9ClN4O
SMILES
CN1C(=O)C2=CC=CC=C2N3C1=NN=C3CCl
InChI
InChI=1S/C11H9ClN4O/c1-15-10(17)7-4-2-3-5-8(7)16-9(6-12)13-14-11(15)16/h2-5H,6H2,1H3
InChIKey
HCHVBXJEWGACEA-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

248.0465 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05378 152.2
[M+Na]+ 271.03572 167.1
[M-H]- 247.03922 153.4
[M+NH4]+ 266.08032 169.5
[M+K]+ 287.00966 160.7
[M+H-H2O]+ 231.04376 143.7
[M+HCOO]- 293.04470 168.0
[M+CH3COO]- 307.06035 165.3
[M+Na-2H]- 269.02117 159.7
[M]+ 248.04595 158.5
[M]- 248.04705 158.5
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.