CID 1938383

577981-30-7

Structural Information

Molecular Formula
C18H20N4OS2
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=CC=CS3
InChI
InChI=1S/C18H20N4OS2/c1-3-13-8-5-6-9-14(13)19-16(23)12-25-18-21-20-17(22(18)4-2)15-10-7-11-24-15/h5-11H,3-4,12H2,1-2H3,(H,19,23)
InChIKey
IWKFTWNPWXSWSW-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-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

372.10785 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.115126 184.7
[M+Na]+ 395.097068 195.4
[M-H]- 371.100574 192.3
[M+NH4]+ 390.141673 198.0
[M+K]+ 411.071008 188.5
[M+H-H2O]+ 355.105110 176.9
[M+HCOO]- 417.106051 198.9
[M+CH3COO]- 431.121701 195.5
[M+Na-2H]- 393.082516 181.6
[M]+ 372.10730142 191.5
[M]- 372.10839858 191.5
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.