CID 1390721

107811-36-9

Structural Information

Molecular Formula
C15H18N4O2S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H18N4O2S/c1-10(2)14-18-19-15(22-14)17-13(21)9-8-12(20)16-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKey
BCYWANDRWRZLCK-UHFFFAOYSA-N
Compound name
N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

318.11505 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12233 174.1
[M+Na]+ 341.10427 179.3
[M-H]- 317.10777 178.3
[M+NH4]+ 336.14887 187.2
[M+K]+ 357.07821 175.6
[M+H-H2O]+ 301.11231 165.1
[M+HCOO]- 363.11325 191.1
[M+CH3COO]- 377.12890 208.6
[M+Na-2H]- 339.08972 173.7
[M]+ 318.11450 176.1
[M]- 318.11560 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.