CID 5467778

Nsc659000

Structural Information

Molecular Formula
C20H13Cl2N3O2
SMILES
CC1=NOC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)/C=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H13Cl2N3O2/c1-12-10-19(27-24-12)25-18(9-4-13-2-5-14(21)6-3-13)23-17-11-15(22)7-8-16(17)20(25)26/h2-11H,1H3/b9-4+
InChIKey
JAVHQDGHLLPLMT-RUDMXATFSA-N
Compound name
7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.03848 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.04576 193.1
[M+Na]+ 420.02770 207.4
[M-H]- 396.03120 200.8
[M+NH4]+ 415.07230 203.3
[M+K]+ 436.00164 199.1
[M+H-H2O]+ 380.03574 182.4
[M+HCOO]- 442.03668 203.9
[M+CH3COO]- 456.05233 203.9
[M+Na-2H]- 418.01315 195.1
[M]+ 397.03793 201.4
[M]- 397.03903 201.4
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.