CID 3688106

618443-57-5

Structural Information

Molecular Formula
C16H10BrCl2N3O2
SMILES
C1=CC(=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)Br
InChI
InChI=1S/C16H10BrCl2N3O2/c17-9-1-3-11(4-2-9)21-14(23)7-22-8-20-15-12(16(22)24)5-10(18)6-13(15)19/h1-6,8H,7H2,(H,21,23)
InChIKey
NWCMOFZKNZDQOO-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.93335 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.94063 182.8
[M+Na]+ 447.92257 190.4
[M+NH4]+ 442.96717 187.0
[M+K]+ 463.89651 187.6
[M-H]- 423.92607 185.2
[M+Na-2H]- 445.90802 187.5
[M]+ 424.93280 184.1
[M]- 424.93390 184.1
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.