CID 3864214

618443-81-5

Structural Information

Molecular Formula
C18H15Cl2N3O2
SMILES
CCN(C1=CC=CC=C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C18H15Cl2N3O2/c1-2-23(13-6-4-3-5-7-13)16(24)10-22-11-21-17-14(18(22)25)8-12(19)9-15(17)20/h3-9,11H,2,10H2,1H3
InChIKey
OZDPWIXMOPENMM-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-ethyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.05414 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.06142 182.3
[M+Na]+ 398.04336 192.5
[M-H]- 374.04686 187.9
[M+NH4]+ 393.08796 194.4
[M+K]+ 414.01730 186.0
[M+H-H2O]+ 358.05140 173.1
[M+HCOO]- 420.05234 193.8
[M+CH3COO]- 434.06799 220.3
[M+Na-2H]- 396.02881 186.0
[M]+ 375.05359 188.9
[M]- 375.05469 188.9
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.