CID 24212901

853334-47-1

Structural Information

Molecular Formula
C18H16Cl2N2O
SMILES
CC1=CC(=C(C(=C1)C)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)C
InChI
InChI=1S/C18H16Cl2N2O/c1-10-4-11(2)15(12(3)5-10)8-22-9-21-17-14(18(22)23)6-13(19)7-16(17)20/h4-7,9H,8H2,1-3H3
InChIKey
GPUQARUAOJTVIV-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-[(2,4,6-trimethylphenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.06396 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07124 177.8
[M+Na]+ 369.05318 191.6
[M-H]- 345.05668 182.9
[M+NH4]+ 364.09778 191.9
[M+K]+ 385.02712 183.4
[M+H-H2O]+ 329.06122 169.5
[M+HCOO]- 391.06216 188.2
[M+CH3COO]- 405.07781 189.3
[M+Na-2H]- 367.03863 180.2
[M]+ 346.06341 184.6
[M]- 346.06451 184.6
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.