CID 6445776

Brn 0934188

Structural Information

Molecular Formula
C19H17N3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=CC=C3)NC(=O)C)/NC2=S
InChI
InChI=1S/C19H17N3O2S/c1-12-6-8-16(9-7-12)22-18(24)17(21-19(22)25)11-14-4-3-5-15(10-14)20-13(2)23/h3-11H,1-2H3,(H,20,23)(H,21,25)/b17-11+
InChIKey
SCEPCENHEOJZQZ-GZTJUZNOSA-N
Compound name
N-[3-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.10416 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11144 184.3
[M+Na]+ 374.09338 196.2
[M+NH4]+ 369.13798 190.3
[M+K]+ 390.06732 189.2
[M-H]- 350.09688 188.1
[M+Na-2H]- 372.07883 190.0
[M]+ 351.10361 187.2
[M]- 351.10471 187.2
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.