CID 6478935

Schembl7486954

Structural Information

Molecular Formula
C14H14N4OS
SMILES
C1CC1NC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C14H14N4OS/c19-12(9-6-10-4-2-1-3-5-10)16-14-18-17-13(20-14)15-11-7-8-11/h1-6,9,11H,7-8H2,(H,15,17)(H,16,18,19)/b9-6+
InChIKey
LNUNUHCSPZGRGF-RMKNXTFCSA-N
Compound name
(E)-N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

286.08884 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09612 160.3
[M+Na]+ 309.07806 168.8
[M-H]- 285.08156 168.1
[M+NH4]+ 304.12266 170.3
[M+K]+ 325.05200 162.3
[M+H-H2O]+ 269.08610 151.9
[M+HCOO]- 331.08704 180.4
[M+CH3COO]- 345.10269 171.2
[M+Na-2H]- 307.06351 163.0
[M]+ 286.08829 162.8
[M]- 286.08939 162.8
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.