CID 6434330

Brn 0930243

Structural Information

Molecular Formula
C18H15N3O2S
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C18H15N3O2S/c1-12(22)19-14-9-7-13(8-10-14)11-16-17(23)21(18(24)20-16)15-5-3-2-4-6-15/h2-11H,1H3,(H,19,22)(H,20,24)/b16-11+
InChIKey
DOGBLVDUFHVRCB-LFIBNONCSA-N
Compound name
N-[4-[(E)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0885 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09578 179.4
[M+Na]+ 360.07772 191.1
[M+NH4]+ 355.12232 185.6
[M+K]+ 376.05166 184.3
[M-H]- 336.08122 183.2
[M+Na-2H]- 358.06317 185.6
[M]+ 337.08795 182.3
[M]- 337.08905 182.3
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.