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 180.2
[M+Na]+ 360.12532 189.9
[M-H]- 336.12882 188.6
[M+NH4]+ 355.16992 192.7
[M+K]+ 376.09926 182.9
[M+H-H2O]+ 320.13336 170.1
[M+HCOO]- 382.13430 199.4
[M+CH3COO]- 396.14995 191.2
[M+Na-2H]- 358.11077 180.7
[M]+ 337.13555 182.8
[M]- 337.13665 182.8
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.