CID 6445775

Brn 0817110

Structural Information

Molecular Formula
C19H18N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)C)C)/NC2=S
InChI
InChI=1S/C19H18N2OS/c1-12-4-8-16(9-5-12)21-18(22)17(20-19(21)23)11-15-7-6-13(2)14(3)10-15/h4-11H,1-3H3,(H,20,23)/b17-11-
InChIKey
FPYPDYHSKLBTOQ-BOPFTXTBSA-N
Compound name
(5Z)-5-[(3,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.11398 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12126 177.0
[M+Na]+ 345.10320 187.3
[M-H]- 321.10670 183.9
[M+NH4]+ 340.14780 191.1
[M+K]+ 361.07714 178.9
[M+H-H2O]+ 305.11124 169.2
[M+HCOO]- 367.11218 190.9
[M+CH3COO]- 381.12783 187.8
[M+Na-2H]- 343.08865 172.6
[M]+ 322.11343 176.6
[M]- 322.11453 176.6
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.