CID 1978331

573695-76-8

Structural Information

Molecular Formula
C19H20N4OS2
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3
InChI
InChI=1S/C19H20N4OS2/c1-3-11-23-18(16-10-7-12-25-16)21-22-19(23)26-13-17(24)20-15-9-6-5-8-14(15)4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,20,24)
InChIKey
MZGOEVAVHAMZPL-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-2-[(4-prop-2-enyl-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

384.10785 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11513 189.0
[M+Na]+ 407.09707 199.4
[M-H]- 383.10057 196.3
[M+NH4]+ 402.14167 201.6
[M+K]+ 423.07101 191.7
[M+H-H2O]+ 367.10511 181.0
[M+HCOO]- 429.10605 202.9
[M+CH3COO]- 443.12170 199.2
[M+Na-2H]- 405.08252 185.3
[M]+ 384.10730 195.3
[M]- 384.10840 195.3
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.