CID 1886851

477318-90-4

Structural Information

Molecular Formula
C26H24ClN3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4Cl)C)C
InChI
InChI=1S/C26H24ClN3O3S/c1-4-33-19-11-9-18(10-12-19)30-25(32)20-7-5-6-8-22(20)28-26(30)34-15-23(31)29-24-17(3)13-16(2)14-21(24)27/h5-14H,4,15H2,1-3H3,(H,29,31)
InChIKey
ZJXAOKJOUUPUKY-UHFFFAOYSA-N
Compound name
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.12268 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.12996 217.7
[M+Na]+ 516.11190 227.2
[M-H]- 492.11540 225.8
[M+NH4]+ 511.15650 224.4
[M+K]+ 532.08584 218.9
[M+H-H2O]+ 476.11994 206.8
[M+HCOO]- 538.12088 227.4
[M+CH3COO]- 552.13653 225.6
[M+Na-2H]- 514.09735 217.3
[M]+ 493.12213 226.4
[M]- 493.12323 226.4
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.