CID 9646073

326014-15-7

Structural Information

Molecular Formula
C18H17N3O2S
SMILES
CC1=CC(=C(C=C1)N\2C(=O)CS/C2=N\C(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C18H17N3O2S/c1-12-8-9-15(13(2)10-12)21-16(22)11-24-18(21)20-17(23)19-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,23)/b20-18-
InChIKey
DPWVXDRTRIATMZ-ZZEZOPTASA-N
Compound name
(1Z)-1-[3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

339.10416 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11144 179.7
[M+Na]+ 362.09338 191.4
[M+NH4]+ 357.13798 187.2
[M+K]+ 378.06732 184.1
[M-H]- 338.09688 185.8
[M+Na-2H]- 360.07883 187.4
[M]+ 339.10361 183.3
[M]- 339.10471 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.