CID 476178

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

Structural Information

Molecular Formula
C18H18Br2N4S
SMILES
CCN1C(=NC2=CC=C(C=C2)Br)N(SC1=NC3=CC=C(C=C3)Br)CC
InChI
InChI=1S/C18H18Br2N4S/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
CLYPJPXVGKVKRF-UHFFFAOYSA-N
Compound name
3-N,5-N-bis(4-bromophenyl)-2,4-diethyl-1,2,4-thiadiazolidine-3,5-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.96188 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.96916 167.8
[M+Na]+ 502.95110 180.2
[M-H]- 478.95460 180.1
[M+NH4]+ 497.99570 182.4
[M+K]+ 518.92504 163.0
[M+H-H2O]+ 462.95914 173.7
[M+HCOO]- 524.96008 183.6
[M+CH3COO]- 538.97573 181.2
[M+Na-2H]- 500.93655 172.0
[M]+ 479.96133 205.5
[M]- 479.96243 205.5
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.