CID 476179

2,4-diethyl-3,5-bis-m-tolylimino-[1,2,4]thiadiazolidine

Structural Information

Molecular Formula
C20H24N4S
SMILES
CCN1C(=NC2=CC=CC(=C2)C)N(SC1=NC3=CC=CC(=C3)C)CC
InChI
InChI=1S/C20H24N4S/c1-5-23-19(21-17-11-7-9-15(3)13-17)24(6-2)25-20(23)22-18-12-8-10-16(4)14-18/h7-14H,5-6H2,1-4H3
InChIKey
WHHPNTVQEBGABW-UHFFFAOYSA-N
Compound name
2,4-diethyl-3-N,5-N-bis(3-methylphenyl)-1,2,4-thiadiazolidine-3,5-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17218 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17946 185.9
[M+Na]+ 375.16140 196.3
[M-H]- 351.16490 196.8
[M+NH4]+ 370.20600 200.3
[M+K]+ 391.13534 189.5
[M+H-H2O]+ 335.16944 175.7
[M+HCOO]- 397.17038 208.1
[M+CH3COO]- 411.18603 197.7
[M+Na-2H]- 373.14685 185.8
[M]+ 352.17163 191.3
[M]- 352.17273 191.3
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.