CID 6435477

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

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CNC(=O)/C=C/C(=O)NC1=NN=CS1
InChI
InChI=1S/C7H8N4O2S/c1-8-5(12)2-3-6(13)10-7-11-9-4-14-7/h2-4H,1H3,(H,8,12)(H,10,11,13)/b3-2+
InChIKey
VHWZUVQQMVIOEZ-NSCUHMNNSA-N
Compound name
(E)-N-methyl-N'-(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 144.9
[M+Na]+ 235.02602 152.0
[M-H]- 211.02952 146.3
[M+NH4]+ 230.07062 162.4
[M+K]+ 250.99996 149.7
[M+H-H2O]+ 195.03406 137.2
[M+HCOO]- 257.03500 164.0
[M+CH3COO]- 271.05065 185.5
[M+Na-2H]- 233.01147 147.1
[M]+ 212.03625 145.7
[M]- 212.03735 145.7
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.