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 178.4
[M+Na]+ 447.92257 192.7
[M-H]- 423.92607 185.7
[M+NH4]+ 442.96717 192.3
[M+K]+ 463.89651 177.8
[M+H-H2O]+ 407.93061 176.6
[M+HCOO]- 469.93155 188.2
[M+CH3COO]- 483.94720 190.8
[M+Na-2H]- 445.90802 184.4
[M]+ 424.93280 201.4
[M]- 424.93390 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.