CID 4983349

618443-68-8

Structural Information

Molecular Formula
C19H17Cl2N3O2
SMILES
CCC1=CC=CC(=C1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)C
InChI
InChI=1S/C19H17Cl2N3O2/c1-3-12-6-4-5-11(2)17(12)23-16(25)9-24-10-22-18-14(19(24)26)7-13(20)8-15(18)21/h4-8,10H,3,9H2,1-2H3,(H,23,25)
InChIKey
PAEGRUZDMYGNPM-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-ethyl-6-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0698 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07708 188.4
[M+Na]+ 412.05902 199.8
[M-H]- 388.06252 193.2
[M+NH4]+ 407.10362 200.0
[M+K]+ 428.03296 192.0
[M+H-H2O]+ 372.06706 179.7
[M+HCOO]- 434.06800 199.0
[M+CH3COO]- 448.08365 222.5
[M+Na-2H]- 410.04447 190.7
[M]+ 389.06925 194.9
[M]- 389.07035 194.9
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.