CID 1264896

586992-64-5

Structural Information

Molecular Formula
C17H17N5O3S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CO3
InChI
InChI=1S/C17H17N5O3S/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
LTUYKMWRPFSPTM-UHFFFAOYSA-N
Compound name
4-[[2-[[4-ethyl-5-(furan-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

371.10522 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11250 184.9
[M+Na]+ 394.09444 195.4
[M+NH4]+ 389.13904 189.6
[M+K]+ 410.06838 192.9
[M-H]- 370.09794 189.3
[M+Na-2H]- 392.07989 190.7
[M]+ 371.10467 187.7
[M]- 371.10577 187.7
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.