CID 3807947

763126-93-8

Structural Information

Molecular Formula
C24H25N3O3S2
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C24H25N3O3S2/c1-3-30-21-12-6-18(7-13-21)26-24(31)27-19-8-14-22(15-9-19)32-16-23(28)25-17-4-10-20(29-2)11-5-17/h4-15H,3,16H2,1-2H3,(H,25,28)(H2,26,27,31)
InChIKey
DFJDKNXYMAIGRW-UHFFFAOYSA-N
Compound name
2-[4-[(4-ethoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.13373 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.14101 207.3
[M+Na]+ 490.12295 210.4
[M-H]- 466.12645 215.0
[M+NH4]+ 485.16755 214.6
[M+K]+ 506.09689 202.9
[M+H-H2O]+ 450.13099 197.0
[M+HCOO]- 512.13193 220.6
[M+CH3COO]- 526.14758 237.9
[M+Na-2H]- 488.10840 208.0
[M]+ 467.13318 210.3
[M]- 467.13428 210.3
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.