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 179.9
[M+Na]+ 362.09338 187.4
[M-H]- 338.09688 190.2
[M+NH4]+ 357.13798 194.6
[M+K]+ 378.06732 182.1
[M+H-H2O]+ 322.10142 171.1
[M+HCOO]- 384.10236 199.5
[M+CH3COO]- 398.11801 214.4
[M+Na-2H]- 360.07883 178.9
[M]+ 339.10361 180.7
[M]- 339.10471 180.7
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.