CID 1627795

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

Structural Information

Molecular Formula
C15H17BrN4O2S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H17BrN4O2S/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
KWBAMBDJCUUEHF-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-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

396.02557 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.03285 174.6
[M+Na]+ 419.01479 183.8
[M-H]- 395.01829 181.6
[M+NH4]+ 414.05939 188.9
[M+K]+ 434.98873 171.2
[M+H-H2O]+ 379.02283 171.8
[M+HCOO]- 441.02377 189.6
[M+CH3COO]- 455.03942 217.7
[M+Na-2H]- 417.00024 175.7
[M]+ 396.02502 195.4
[M]- 396.02612 195.4
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.