CID 24212694

853318-63-5

Structural Information

Molecular Formula
C19H19ClN2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=CC(=C3)Cl
InChI
InChI=1S/C19H19ClN2O/c1-19(2,3)14-6-4-13(5-7-14)11-22-12-21-17-10-15(20)8-9-16(17)18(22)23/h4-10,12H,11H2,1-3H3
InChIKey
MJKDTFHKZGBLML-UHFFFAOYSA-N
Compound name
3-[(4-tert-butylphenyl)methyl]-7-chloroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1186 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12588 177.8
[M+Na]+ 349.10782 195.9
[M+NH4]+ 344.15242 186.5
[M+K]+ 365.08176 186.2
[M-H]- 325.11132 182.3
[M+Na-2H]- 347.09327 187.2
[M]+ 326.11805 182.3
[M]- 326.11915 182.3
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.