CID 3597209

618443-79-1

Structural Information

Molecular Formula
C22H14Cl3N3O3
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4Cl)Cl
InChI
InChI=1S/C22H14Cl3N3O3/c23-13-6-7-19(31-15-4-2-1-3-5-15)18(10-13)27-20(29)11-28-12-26-21-16(22(28)30)8-14(24)9-17(21)25/h1-10,12H,11H2,(H,27,29)
InChIKey
UGALOVLFNSNNSA-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-phenoxyphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.01007 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.01735 202.6
[M+Na]+ 495.99929 213.4
[M-H]- 472.00279 208.8
[M+NH4]+ 491.04389 210.1
[M+K]+ 511.97323 205.6
[M+H-H2O]+ 456.00733 192.3
[M+HCOO]- 518.00827 208.1
[M+CH3COO]- 532.02392 210.8
[M+Na-2H]- 493.98474 204.9
[M]+ 473.00952 209.6
[M]- 473.01062 209.6
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.