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 182.9
[M+Na]+ 395.04292 191.8
[M-H]- 371.04642 192.6
[M+NH4]+ 390.08752 196.5
[M+K]+ 411.01686 183.1
[M+H-H2O]+ 355.05096 174.7
[M+HCOO]- 417.05190 193.9
[M+CH3COO]- 431.06755 192.8
[M+Na-2H]- 393.02837 182.5
[M]+ 372.05315 183.7
[M]- 372.05425 183.7
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.