CID 1887494

477318-95-9

Structural Information

Molecular Formula
C24H19Cl2N3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H19Cl2N3O3S/c1-2-32-17-10-8-16(9-11-17)29-23(31)18-5-3-4-6-21(18)28-24(29)33-14-22(30)27-15-7-12-19(25)20(26)13-15/h3-13H,2,14H2,1H3,(H,27,30)
InChIKey
YFTXOKGFFNZAJB-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.05243 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.05971 211.4
[M+Na]+ 522.04165 221.3
[M-H]- 498.04515 219.0
[M+NH4]+ 517.08625 218.4
[M+K]+ 538.01559 212.9
[M+H-H2O]+ 482.04969 201.6
[M+HCOO]- 544.05063 217.1
[M+CH3COO]- 558.06628 219.4
[M+Na-2H]- 520.02710 212.4
[M]+ 499.05188 220.6
[M]- 499.05298 220.6
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.