CID 6478880

Schembl7486965

Structural Information

Molecular Formula
C18H22N4OS
SMILES
C1CCC(CC1)CNC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H22N4OS/c23-16(12-11-14-7-3-1-4-8-14)20-18-22-21-17(24-18)19-13-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,19,21)(H,20,22,23)/b12-11+
InChIKey
DLBIOPUMJDLYOR-VAWYXSNFSA-N
Compound name
(E)-N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

342.15143 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.158706 178.8
[M+Na]+ 365.140648 182.0
[M-H]- 341.144154 184.7
[M+NH4]+ 360.185253 190.4
[M+K]+ 381.114588 176.0
[M+H-H2O]+ 325.148690 168.8
[M+HCOO]- 387.149631 194.0
[M+CH3COO]- 401.165281 187.1
[M+Na-2H]- 363.126096 178.8
[M]+ 342.15088142 175.0
[M]- 342.15197858 175.0
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

patents stripe