CID 3506811

618443-61-1

Structural Information

Molecular Formula
C16H9Cl4N3O2
SMILES
C1=CC(=C(C=C1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H9Cl4N3O2/c17-8-3-10-15(13(20)4-8)21-7-23(16(10)25)6-14(24)22-9-1-2-11(18)12(19)5-9/h1-5,7H,6H2,(H,22,24)
InChIKey
SHUMIIRWFNUOHW-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.9449 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.95218 183.6
[M+Na]+ 437.93412 195.3
[M-H]- 413.93762 185.6
[M+NH4]+ 432.97872 193.9
[M+K]+ 453.90806 188.3
[M+H-H2O]+ 397.94216 176.4
[M+HCOO]- 459.94310 184.3
[M+CH3COO]- 473.95875 192.2
[M+Na-2H]- 435.91957 185.1
[M]+ 414.94435 188.6
[M]- 414.94545 188.6
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.