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]+ 340.111436 179.9
[M+Na]+ 362.093378 187.4
[M-H]- 338.096884 190.2
[M+NH4]+ 357.137983 194.6
[M+K]+ 378.067318 182.1
[M+H-H2O]+ 322.101420 171.1
[M+HCOO]- 384.102361 199.5
[M+CH3COO]- 398.118011 214.4
[M+Na-2H]- 360.078826 178.9
[M]+ 339.10361142 180.7
[M]- 339.10470858 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.