CID 3073634

151220-52-9

Structural Information

Molecular Formula
C17H16N4S3
SMILES
CC1=CC(=CC=C1)N=C(N)N(C2=CC=CC(=C2)C)C3=NC(=S)SS3
InChI
InChI=1S/C17H16N4S3/c1-11-5-3-7-13(9-11)19-15(18)21(16-20-17(22)24-23-16)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,18,19)
InChIKey
YLSYHHMMZHHIFN-UHFFFAOYSA-N
Compound name
1,2-bis(3-methylphenyl)-1-(5-sulfanylidene-1,2,4-dithiazol-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0537 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.06098 176.1
[M+Na]+ 395.04292 187.2
[M+NH4]+ 390.08752 184.9
[M+K]+ 411.01686 176.7
[M-H]- 371.04642 183.9
[M+Na-2H]- 393.02837 185.0
[M]+ 372.05315 181.2
[M]- 372.05425 181.2
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.