CID 1978272

573695-37-1

Structural Information

Molecular Formula
C17H17N5O2S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CS3
InChI
InChI=1S/C17H17N5O2S2/c1-2-22-16(13-4-3-9-25-13)20-21-17(22)26-10-14(23)19-12-7-5-11(6-8-12)15(18)24/h3-9H,2,10H2,1H3,(H2,18,24)(H,19,23)
InChIKey
YNZOHYYHAYRBPG-UHFFFAOYSA-N
Compound name
4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.08237 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.08965 186.8
[M+Na]+ 410.07159 196.2
[M-H]- 386.07509 194.0
[M+NH4]+ 405.11619 198.4
[M+K]+ 426.04553 189.6
[M+H-H2O]+ 370.07963 178.9
[M+HCOO]- 432.08057 200.8
[M+CH3COO]- 446.09622 196.7
[M+Na-2H]- 408.05704 184.0
[M]+ 387.08182 191.6
[M]- 387.08292 191.6
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.