CID 7131318

3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline

Structural Information

Molecular Formula
C11H7Cl2N3
SMILES
CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)Cl
InChI
InChI=1S/C11H7Cl2N3/c1-6-9(12)11-14-10(13)7-4-2-3-5-8(7)16(11)15-6/h2-5H,1H3
InChIKey
BLKAQFDRUJKGDE-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

251.00171 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00899 150.7
[M+Na]+ 273.99093 165.7
[M-H]- 249.99443 152.4
[M+NH4]+ 269.03553 169.7
[M+K]+ 289.96487 158.5
[M+H-H2O]+ 233.99897 143.3
[M+HCOO]- 295.99991 162.3
[M+CH3COO]- 310.01556 163.9
[M+Na-2H]- 271.97638 157.4
[M]+ 251.00116 156.8
[M]- 251.00226 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.