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]+ 338.143376 180.2
[M+Na]+ 360.125318 189.9
[M-H]- 336.128824 188.6
[M+NH4]+ 355.169923 192.7
[M+K]+ 376.099258 182.9
[M+H-H2O]+ 320.133360 170.1
[M+HCOO]- 382.134301 199.4
[M+CH3COO]- 396.149951 191.2
[M+Na-2H]- 358.110766 180.7
[M]+ 337.13555142 182.8
[M]- 337.13664858 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.