CID 1543089

477333-55-4

Structural Information

Molecular Formula
C19H20N4OS3
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3
InChI
InChI=1S/C19H20N4OS3/c1-23(2)16-10-8-15(9-11-16)20-17(24)13-26-19-22-21-18(27-19)25-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKey
JEISZXDDDPBAFU-UHFFFAOYSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.07993 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.08721 190.8
[M+Na]+ 439.06915 198.1
[M-H]- 415.07265 198.0
[M+NH4]+ 434.11375 201.2
[M+K]+ 455.04309 189.8
[M+H-H2O]+ 399.07719 182.4
[M+HCOO]- 461.07813 198.9
[M+CH3COO]- 475.09378 199.1
[M+Na-2H]- 437.05460 190.5
[M]+ 416.07938 194.2
[M]- 416.08048 194.2
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.