CID 476177

3,5-bis-(4-chloro-phenylimino)-2,4-diethyl-[1,2,4]thiadiazolidine

Structural Information

Molecular Formula
C18H18Cl2N4S
SMILES
CCN1C(=NC2=CC=C(C=C2)Cl)N(SC1=NC3=CC=C(C=C3)Cl)CC
InChI
InChI=1S/C18H18Cl2N4S/c1-3-23-17(21-15-9-5-13(19)6-10-15)24(4-2)25-18(23)22-16-11-7-14(20)8-12-16/h5-12H,3-4H2,1-2H3
InChIKey
KFJNGSWYHDRKNM-UHFFFAOYSA-N
Compound name
3-N,5-N-bis(4-chlorophenyl)-2,4-diethyl-1,2,4-thiadiazolidine-3,5-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.06293 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07021 193.1
[M+Na]+ 415.05215 205.0
[M-H]- 391.05565 203.1
[M+NH4]+ 410.09675 207.1
[M+K]+ 431.02609 196.5
[M+H-H2O]+ 375.06019 183.8
[M+HCOO]- 437.06113 205.9
[M+CH3COO]- 451.07678 204.2
[M+Na-2H]- 413.03760 192.3
[M]+ 392.06238 200.9
[M]- 392.06348 200.9
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.