CID 6435709

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-butenediamide

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CC1=NN=C(S1)NC(=O)/C=C/C(=O)N
InChI
InChI=1S/C7H8N4O2S/c1-4-10-11-7(14-4)9-6(13)3-2-5(8)12/h2-3H,1H3,(H2,8,12)(H,9,11,13)/b3-2+
InChIKey
CHWUJGYZIQIMJW-NSCUHMNNSA-N
Compound name
(E)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0368 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04408 146.0
[M+Na]+ 235.02602 153.1
[M+NH4]+ 230.07062 151.3
[M+K]+ 250.99996 149.9
[M-H]- 211.02952 145.1
[M+Na-2H]- 233.01147 148.2
[M]+ 212.03625 146.5
[M]- 212.03735 146.5
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.