CID 63995

Brn 3614714

Structural Information

Molecular Formula
C12H10N4O
SMILES
CN1C(=CC=N1)N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C12H10N4O/c1-15-11(6-7-14-15)16-8-13-10-5-3-2-4-9(10)12(16)17/h2-8H,1H3
InChIKey
MMQOWKLWRQUTBY-UHFFFAOYSA-N
Compound name
3-(2-methylpyrazol-3-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.08546 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09274 148.5
[M+Na]+ 249.07468 161.5
[M-H]- 225.07818 152.2
[M+NH4]+ 244.11928 164.4
[M+K]+ 265.04862 156.2
[M+H-H2O]+ 209.08272 139.0
[M+HCOO]- 271.08366 170.5
[M+CH3COO]- 285.09931 161.9
[M+Na-2H]- 247.06013 156.4
[M]+ 226.08491 151.8
[M]- 226.08601 151.8
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

No patent data available for this compound.