CID 135521760

Brn 4238040

Structural Information

Molecular Formula
C23H19N3OS
SMILES
C1=CC=C(C=C1)C2N(NC(=NC3=CC=CC=C3)S2)/C=C/C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H19N3OS/c27-21(18-10-4-1-5-11-18)16-17-26-22(19-12-6-2-7-13-19)28-23(25-26)24-20-14-8-3-9-15-20/h1-17,22H,(H,24,25)/b17-16+
InChIKey
GEHMDTFXHNHHHQ-WUKNDPDISA-N
Compound name
(E)-1-phenyl-3-(2-phenyl-5-phenylimino-1,3,4-thiadiazolidin-3-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.12488 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13216 192.1
[M+Na]+ 408.11410 197.7
[M-H]- 384.11760 201.6
[M+NH4]+ 403.15870 202.0
[M+K]+ 424.08804 189.3
[M+H-H2O]+ 368.12214 181.5
[M+HCOO]- 430.12308 207.5
[M+CH3COO]- 444.13873 200.6
[M+Na-2H]- 406.09955 191.2
[M]+ 385.12433 189.1
[M]- 385.12543 189.1
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.