CID 3073383

3h-1,2,4-dithiazol-5-amine, n-(4-chlorophenyl)-3-((4-methylphenyl)imino)-, monohydrobromide

Structural Information

Molecular Formula
C15H12ClN3S2
SMILES
CC1=CC=C(C=C1)N=C2N=C(SS2)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClN3S2/c1-10-2-6-12(7-3-10)17-14-19-15(21-20-14)18-13-8-4-11(16)5-9-13/h2-9H,1H3,(H,17,18,19)
InChIKey
GZHSTYMENGUXTC-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-5-(4-methylphenyl)imino-1,2,4-dithiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0161 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.02338 171.8
[M+Na]+ 356.00532 183.1
[M-H]- 332.00882 182.4
[M+NH4]+ 351.04992 188.4
[M+K]+ 371.97926 174.7
[M+H-H2O]+ 316.01336 164.6
[M+HCOO]- 378.01430 185.4
[M+CH3COO]- 392.02995 184.0
[M+Na-2H]- 353.99077 173.4
[M]+ 333.01555 176.3
[M]- 333.01665 176.3
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.