CID 6435708

104151-98-6

Structural Information

Molecular Formula
C9H12N4O2S
SMILES
CCCC1=NN=C(S1)NC(=O)/C=C/C(=O)N
InChI
InChI=1S/C9H12N4O2S/c1-2-3-8-12-13-9(16-8)11-7(15)5-4-6(10)14/h4-5H,2-3H2,1H3,(H2,10,14)(H,11,13,15)/b5-4+
InChIKey
HCVQBBYDYDBGKQ-SNAWJCMRSA-N
Compound name
(E)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0681 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.075376 153.5
[M+Na]+ 263.057318 160.5
[M-H]- 239.060824 154.3
[M+NH4]+ 258.101923 169.8
[M+K]+ 279.031258 157.3
[M+H-H2O]+ 223.065360 145.7
[M+HCOO]- 285.066301 171.2
[M+CH3COO]- 299.081951 192.7
[M+Na-2H]- 261.042766 153.1
[M]+ 240.06755142 154.4
[M]- 240.06864858 154.4
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.