CID 3683487

618443-78-0

Structural Information

Molecular Formula
C18H14Cl2N4O3
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C18H14Cl2N4O3/c1-10(25)22-12-2-4-13(5-3-12)23-16(26)8-24-9-21-17-14(18(24)27)6-11(19)7-15(17)20/h2-7,9H,8H2,1H3,(H,22,25)(H,23,26)
InChIKey
XYELVDOKMFNOIH-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.04428 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.05156 188.6
[M+Na]+ 427.03350 198.5
[M-H]- 403.03700 193.5
[M+NH4]+ 422.07810 198.8
[M+K]+ 443.00744 191.8
[M+H-H2O]+ 387.04154 180.0
[M+HCOO]- 449.04248 200.2
[M+CH3COO]- 463.05813 225.2
[M+Na-2H]- 425.01895 192.0
[M]+ 404.04373 194.0
[M]- 404.04483 194.0
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.