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]+ 373.11513 184.7
[M+Na]+ 395.09707 195.4
[M-H]- 371.10057 192.3
[M+NH4]+ 390.14167 198.0
[M+K]+ 411.07101 188.5
[M+H-H2O]+ 355.10511 176.9
[M+HCOO]- 417.10605 198.9
[M+CH3COO]- 431.12170 195.5
[M+Na-2H]- 393.08252 181.6
[M]+ 372.10730 191.5
[M]- 372.10840 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.