CID 3710041

618443-39-3

Structural Information

Molecular Formula
C19H17Cl2N3O2
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C19H17Cl2N3O2/c1-11(2)12-3-5-14(6-4-12)23-17(25)9-24-10-22-18-15(19(24)26)7-13(20)8-16(18)21/h3-8,10-11H,9H2,1-2H3,(H,23,25)
InChIKey
XTJAAOQYJUFPEC-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)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 188.0
[M+Na]+ 412.05902 204.8
[M+NH4]+ 407.10362 195.3
[M+K]+ 428.03296 195.9
[M-H]- 388.06252 192.0
[M+Na-2H]- 410.04447 195.5
[M]+ 389.06925 192.2
[M]- 389.07035 192.2
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.