CID 3709883

618443-66-6

Structural Information

Molecular Formula
C18H15Cl2N3O2
SMILES
CC1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)C
InChI
InChI=1S/C18H15Cl2N3O2/c1-10-3-11(2)5-13(4-10)22-16(24)8-23-9-21-17-14(18(23)25)6-12(19)7-15(17)20/h3-7,9H,8H2,1-2H3,(H,22,24)
InChIKey
FTJWWPNXJHVGAD-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.05414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.06142 183.9
[M+Na]+ 398.04336 195.8
[M-H]- 374.04686 188.9
[M+NH4]+ 393.08796 196.0
[M+K]+ 414.01730 188.2
[M+H-H2O]+ 358.05140 175.4
[M+HCOO]- 420.05234 194.8
[M+CH3COO]- 434.06799 194.4
[M+Na-2H]- 396.02881 186.7
[M]+ 375.05359 190.0
[M]- 375.05469 190.0
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.