CID 6879322

478256-88-1

Structural Information

Molecular Formula
C18H19N5OS
SMILES
CN(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC
InChI
InChI=1S/C18H19N5OS/c1-22(2)14-10-8-13(9-11-14)12-19-23-17(20-21-18(23)25)15-6-4-5-7-16(15)24-3/h4-12H,1-3H3,(H,21,25)/b19-12+
InChIKey
QHKWCQWGPVIWSS-XDHOZWIPSA-N
Compound name
4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13104 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.138316 183.4
[M+Na]+ 376.120258 192.7
[M-H]- 352.123764 191.7
[M+NH4]+ 371.164863 195.0
[M+K]+ 392.094198 186.4
[M+H-H2O]+ 336.128300 173.1
[M+HCOO]- 398.129241 202.8
[M+CH3COO]- 412.144891 194.1
[M+Na-2H]- 374.105706 184.1
[M]+ 353.13049142 187.3
[M]- 353.13158858 187.3
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.