CID 3867899

618412-18-3

Structural Information

Molecular Formula
C18H21N5OS2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)C3=CC=CS3
InChI
InChI=1S/C18H21N5OS2/c1-4-23-17(15-6-5-11-25-15)20-21-18(23)26-12-16(24)19-13-7-9-14(10-8-13)22(2)3/h5-11H,4,12H2,1-3H3,(H,19,24)
InChIKey
JCTDZIVDDFWULW-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.11874 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12602 186.8
[M+Na]+ 410.10796 197.8
[M+NH4]+ 405.15256 193.6
[M+K]+ 426.08190 191.3
[M-H]- 386.11146 191.9
[M+Na-2H]- 408.09341 194.2
[M]+ 387.11819 190.6
[M]- 387.11929 190.6
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.