CID 6880155

478255-96-8

Structural Information

Molecular Formula
C18H19N5S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C18H19N5S/c1-13-5-4-6-15(11-13)17-20-21-18(24)23(17)19-12-14-7-9-16(10-8-14)22(2)3/h4-12H,1-3H3,(H,21,24)/b19-12+
InChIKey
ZTVZJHFLQJKIRQ-XDHOZWIPSA-N
Compound name
4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1361 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14338 179.2
[M+Na]+ 360.12532 193.3
[M+NH4]+ 355.16992 186.5
[M+K]+ 376.09926 185.2
[M-H]- 336.12882 185.3
[M+Na-2H]- 358.11077 188.6
[M]+ 337.13555 183.3
[M]- 337.13665 183.3
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.