CID 6878462

478255-14-0

Structural Information

Molecular Formula
C19H20ClN5S
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H20ClN5S/c1-3-24(4-2)17-10-8-14(9-11-17)13-21-25-18(22-23-19(25)26)15-6-5-7-16(20)12-15/h5-13H,3-4H2,1-2H3,(H,23,26)/b21-13+
InChIKey
ZORHXFJGMQUGNC-FYJGNVAPSA-N
Compound name
3-(3-chlorophenyl)-4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1128 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12008 191.6
[M+Na]+ 408.10202 201.2
[M-H]- 384.10552 199.4
[M+NH4]+ 403.14662 202.9
[M+K]+ 424.07596 192.8
[M+H-H2O]+ 368.11006 181.4
[M+HCOO]- 430.11100 205.7
[M+CH3COO]- 444.12665 201.5
[M+Na-2H]- 406.08747 191.0
[M]+ 385.11225 196.5
[M]- 385.11335 196.5
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.