CID 3686479

618443-75-7

Structural Information

Molecular Formula
C17H13Cl2N3O3
SMILES
COC1=CC=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C17H13Cl2N3O3/c1-25-12-4-2-3-11(7-12)21-15(23)8-22-9-20-16-13(17(22)24)5-10(18)6-14(16)19/h2-7,9H,8H2,1H3,(H,21,23)
InChIKey
SXINBTUNNFRHAK-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0334 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.04068 181.1
[M+Na]+ 400.02262 192.3
[M-H]- 376.02612 186.0
[M+NH4]+ 395.06722 192.8
[M+K]+ 415.99656 185.6
[M+H-H2O]+ 360.03066 172.5
[M+HCOO]- 422.03160 192.7
[M+CH3COO]- 436.04725 217.6
[M+Na-2H]- 398.00807 185.4
[M]+ 377.03285 187.9
[M]- 377.03395 187.9
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.