CID 4465042

618443-70-2

Structural Information

Molecular Formula
C19H17Cl2N3O2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)C
InChI
InChI=1S/C19H17Cl2N3O2/c1-10-4-11(2)17(12(3)5-10)23-16(25)8-24-9-22-18-14(19(24)26)6-13(20)7-15(18)21/h4-7,9H,8H2,1-3H3,(H,23,25)
InChIKey
LITIMPGVMBZPIT-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0698 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07708 189.3
[M+Na]+ 412.05902 207.1
[M+NH4]+ 407.10362 196.7
[M+K]+ 428.03296 197.7
[M-H]- 388.06252 193.6
[M+Na-2H]- 410.04447 196.6
[M]+ 389.06925 193.8
[M]- 389.07035 193.8
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.