CID 135485992

2-((e)-{[3-(2-chlorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]imino}methyl)-5-(diethylamino)phenol

Structural Information

Molecular Formula
C19H20ClN5OS
SMILES
CCN(CC)C1=CC(=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C19H20ClN5OS/c1-3-24(4-2)14-10-9-13(17(26)11-14)12-21-25-18(22-23-19(25)27)15-7-5-6-8-16(15)20/h5-12,26H,3-4H2,1-2H3,(H,23,27)/b21-12+
InChIKey
GBCQXDYDTICGJH-CIAFOILYSA-N
Compound name
3-(2-chlorophenyl)-4-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1077 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11498 194.8
[M+Na]+ 424.09692 208.7
[M+NH4]+ 419.14152 201.2
[M+K]+ 440.07086 200.4
[M-H]- 400.10042 199.9
[M+Na-2H]- 422.08237 202.6
[M]+ 401.10715 198.8
[M]- 401.10825 198.8
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.