CID 3149357

459802-64-3

Structural Information

Molecular Formula
C17H17N5O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CO3
InChI
InChI=1S/C17H17N5O3S/c1-11(23)18-12-5-7-13(8-6-12)19-15(24)10-26-17-21-20-16(22(17)2)14-4-3-9-25-14/h3-9H,10H2,1-2H3,(H,18,23)(H,19,24)
InChIKey
ZOAYUUIHCGURAY-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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 185.1
[M+Na]+ 394.09444 195.9
[M+NH4]+ 389.13904 190.0
[M+K]+ 410.06838 193.2
[M-H]- 370.09794 189.7
[M+Na-2H]- 392.07989 191.3
[M]+ 371.10467 188.0
[M]- 371.10577 188.0
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.