CID 3049515

N(sup 3),n(sup 5)-bis(4-methylphenyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2h,4h)-diimine

Structural Information

Molecular Formula
C18H20N4S
SMILES
CC1=CC=C(C=C1)N=C2N(C(=NC3=CC=C(C=C3)C)SN2C)C
InChI
InChI=1S/C18H20N4S/c1-13-5-9-15(10-6-13)19-17-21(3)18(23-22(17)4)20-16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKey
IYFOFTPTPBBPHD-UHFFFAOYSA-N
Compound name
2,4-dimethyl-3-N,5-N-bis(4-methylphenyl)-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 177.2
[M+Na]+ 347.13009 188.6
[M-H]- 323.13359 188.6
[M+NH4]+ 342.17469 192.8
[M+K]+ 363.10403 182.2
[M+H-H2O]+ 307.13813 167.5
[M+HCOO]- 369.13907 200.2
[M+CH3COO]- 383.15472 190.0
[M+Na-2H]- 345.11554 178.1
[M]+ 324.14032 182.0
[M]- 324.14142 182.0
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.