CID 1401153

Succinamide, n-(p-chlorophenyl)-n'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C15H17ClN4O2S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H17ClN4O2S/c1-9(2)14-19-20-15(23-14)18-13(22)8-7-12(21)17-11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKey
HWLQQVQIGMTPPU-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-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

352.07608 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08336 180.3
[M+Na]+ 375.06530 186.9
[M-H]- 351.06880 184.9
[M+NH4]+ 370.10990 193.2
[M+K]+ 391.03924 181.7
[M+H-H2O]+ 335.07334 172.3
[M+HCOO]- 397.07428 192.7
[M+CH3COO]- 411.08993 213.4
[M+Na-2H]- 373.05075 178.8
[M]+ 352.07553 184.7
[M]- 352.07663 184.7
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.