CID 115915

Brn 0218336

Structural Information

Molecular Formula
C16H16N2S
SMILES
C1CSC(=NC2=CC=CC=C2)N1CC3=CC=CC=C3
InChI
InChI=1S/C16H16N2S/c1-3-7-14(8-4-1)13-18-11-12-19-16(18)17-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKey
LQRGKVHFSGIRFD-UHFFFAOYSA-N
Compound name
3-benzyl-N-phenyl-1,3-thiazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10342 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11070 160.6
[M+Na]+ 291.09264 167.5
[M-H]- 267.09614 170.1
[M+NH4]+ 286.13724 178.1
[M+K]+ 307.06658 162.3
[M+H-H2O]+ 251.10068 151.9
[M+HCOO]- 313.10162 180.3
[M+CH3COO]- 327.11727 172.6
[M+Na-2H]- 289.07809 162.6
[M]+ 268.10287 159.6
[M]- 268.10397 159.6
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.