CID 7275230

853318-65-7

Structural Information

Molecular Formula
C19H18Cl2N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O/c1-19(2,3)13-6-4-12(5-7-13)10-23-11-22-17-15(18(23)24)8-14(20)9-16(17)21/h4-9,11H,10H2,1-3H3
InChIKey
HAECFVXZUXSGOK-UHFFFAOYSA-N
Compound name
3-[(4-tert-butylphenyl)methyl]-6,8-dichloroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.07962 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08690 183.9
[M+Na]+ 383.06884 195.9
[M-H]- 359.07234 188.6
[M+NH4]+ 378.11344 197.0
[M+K]+ 399.04278 187.8
[M+H-H2O]+ 343.07688 175.4
[M+HCOO]- 405.07782 192.4
[M+CH3COO]- 419.09347 194.5
[M+Na-2H]- 381.05429 188.0
[M]+ 360.07907 189.8
[M]- 360.08017 189.8
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.