CID 3814204

763128-88-7

Structural Information

Molecular Formula
C23H23N3OS2
SMILES
CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)C
InChI
InChI=1S/C23H23N3OS2/c1-16-8-9-20(14-17(16)2)24-22(27)15-29-21-12-10-19(11-13-21)26-23(28)25-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKey
WJSARUBYFBWYRR-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.12827 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.13555 196.8
[M+Na]+ 444.11749 201.2
[M-H]- 420.12099 204.9
[M+NH4]+ 439.16209 206.4
[M+K]+ 460.09143 192.4
[M+H-H2O]+ 404.12553 187.2
[M+HCOO]- 466.12647 210.1
[M+CH3COO]- 480.14212 230.9
[M+Na-2H]- 442.10294 197.3
[M]+ 421.12772 197.0
[M]- 421.12882 197.0
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.