CID 51059404

[4-methyl-5-[(2e,4e)-5-phenylpenta-2,4-dienoyl]-1,3-thiazol-2-yl]thiourea

Structural Information

Molecular Formula
C16H15N3OS2
SMILES
CC1=C(SC(=N1)NC(=S)N)C(=O)/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H15N3OS2/c1-11-14(22-16(18-11)19-15(17)21)13(20)10-6-5-9-12-7-3-2-4-8-12/h2-10H,1H3,(H3,17,18,19,21)/b9-5+,10-6+
InChIKey
BOEHSSIGBYYFMA-NXZHAISVSA-N
Compound name
[4-methyl-5-[(2E,4E)-5-phenylpenta-2,4-dienoyl]-1,3-thiazol-2-yl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.06564 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07292 176.6
[M+Na]+ 352.05486 183.7
[M-H]- 328.05836 181.2
[M+NH4]+ 347.09946 190.9
[M+K]+ 368.02880 175.6
[M+H-H2O]+ 312.06290 169.0
[M+HCOO]- 374.06384 189.1
[M+CH3COO]- 388.07949 208.6
[M+Na-2H]- 350.04031 173.3
[M]+ 329.06509 176.5
[M]- 329.06619 176.5
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.