CID 63460

Brn 0916605

Structural Information

Molecular Formula
C13H10N4O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=NC=CC=N3
InChI
InChI=1S/C13H10N4O/c1-9-16-11-6-3-2-5-10(11)12(18)17(9)13-14-7-4-8-15-13/h2-8H,1H3
InChIKey
UQOJCHLYXBPGOU-UHFFFAOYSA-N
Compound name
2-methyl-3-pyrimidin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08546 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09274 152.6
[M+Na]+ 261.07468 170.5
[M+NH4]+ 256.11928 160.4
[M+K]+ 277.04862 162.4
[M-H]- 237.07818 155.9
[M+Na-2H]- 259.06013 162.8
[M]+ 238.08491 156.2
[M]- 238.08601 156.2
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.