CID 476172

57204-44-1

Structural Information

Molecular Formula
C18H20N4S
SMILES
CCN1C(=NC2=CC=CC=C2)N(SC1=NC3=CC=CC=C3)CC
InChI
InChI=1S/C18H20N4S/c1-3-21-17(19-15-11-7-5-8-12-15)22(4-2)23-18(21)20-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey
JZCNRIRIAZTMLA-UHFFFAOYSA-N
Compound name
2,4-diethyl-3-N,5-N-diphenyl-1,2,4-thiadiazolidine-3,5-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.14087 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14815 176.2
[M+Na]+ 347.13009 185.9
[M-H]- 323.13359 186.8
[M+NH4]+ 342.17469 191.2
[M+K]+ 363.10403 179.5
[M+H-H2O]+ 307.13813 166.0
[M+HCOO]- 369.13907 199.3
[M+CH3COO]- 383.15472 188.4
[M+Na-2H]- 345.11554 178.6
[M]+ 324.14032 180.2
[M]- 324.14142 180.2
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.