CID 24212699

853319-02-5

Structural Information

Molecular Formula
C23H17Cl2N3O2
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4Cl)Cl
InChI
InChI=1S/C23H17Cl2N3O2/c24-17-11-18-22(19(25)12-17)26-14-28(23(18)30)13-21(29)27-20-9-5-4-8-16(20)10-15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2,(H,27,29)
InChIKey
YRNYBJYBBSUVQI-UHFFFAOYSA-N
Compound name
N-(2-benzylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0698 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.07708 201.0
[M+Na]+ 460.05902 210.8
[M-H]- 436.06252 208.0
[M+NH4]+ 455.10362 209.5
[M+K]+ 476.03296 201.9
[M+H-H2O]+ 420.06706 189.9
[M+HCOO]- 482.06800 211.3
[M+CH3COO]- 496.08365 209.6
[M+Na-2H]- 458.04447 204.2
[M]+ 437.06925 205.9
[M]- 437.07035 205.9
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.