CID 6882191

489443-98-3

Structural Information

Molecular Formula
C19H18N4OS3
SMILES
CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C19H18N4OS3/c1-14-7-9-16(10-8-14)12-25-18-22-23-19(27-18)26-13-17(24)21-20-11-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,21,24)/b20-11+
InChIKey
RKEIFXMYFNTFBG-RGVLZGJSSA-N
Compound name
N-[(E)-benzylideneamino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.06427 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.07155 185.7
[M+Na]+ 437.05349 196.9
[M+NH4]+ 432.09809 193.3
[M+K]+ 453.02743 185.4
[M-H]- 413.05699 191.9
[M+Na-2H]- 435.03894 193.8
[M]+ 414.06372 190.3
[M]- 414.06482 190.3
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.