CID 1399068

Succinamide, n-(5-isopropyl-1,3,4-thiadiazol-2-yl)-n'-m-tolyl-

Structural Information

Molecular Formula
C16H20N4O2S
SMILES
CC1=CC(=CC=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C(C)C
InChI
InChI=1S/C16H20N4O2S/c1-10(2)15-19-20-16(23-15)18-14(22)8-7-13(21)17-12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKey
OVNPTPQFARNXJF-UHFFFAOYSA-N
Compound name
N-(3-methylphenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1307 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13798 178.7
[M+Na]+ 355.11992 184.3
[M-H]- 331.12342 183.1
[M+NH4]+ 350.16452 191.5
[M+K]+ 371.09386 180.4
[M+H-H2O]+ 315.12796 169.9
[M+HCOO]- 377.12890 195.3
[M+CH3COO]- 391.14455 212.8
[M+Na-2H]- 353.10537 177.1
[M]+ 332.13015 181.5
[M]- 332.13125 181.5
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.