CID 6878973

478257-09-9

Structural Information

Molecular Formula
C20H23N5OS
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC
InChI
InChI=1S/C20H23N5OS/c1-4-24(5-2)16-12-10-15(11-13-16)14-21-25-19(22-23-20(25)27)17-8-6-7-9-18(17)26-3/h6-14H,4-5H2,1-3H3,(H,23,27)/b21-14+
InChIKey
ZUNHECABCQQLOO-KGENOOAVSA-N
Compound name
4-[(E)-[4-(diethylamino)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

381.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16960 191.1
[M+Na]+ 404.15154 204.2
[M+NH4]+ 399.19614 197.4
[M+K]+ 420.12548 196.2
[M-H]- 380.15504 196.6
[M+Na-2H]- 402.13699 199.6
[M]+ 381.16177 194.8
[M]- 381.16287 194.8
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.