CID 9554242

Brn 0936652

Structural Information

Molecular Formula
C20H21N3O2S
SMILES
C1CCC(CC1)SC2=CC=C(C=C2)C(=O)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C20H21N3O2S/c24-19(14-22-23-20(25)16-10-12-21-13-11-16)15-6-8-18(9-7-15)26-17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,23,25)/b22-14+
InChIKey
RNENPASAJDURAX-HYARGMPZSA-N
Compound name
N-[(E)-[2-(4-cyclohexylsulfanylphenyl)-2-oxoethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.13544 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14272 185.5
[M+Na]+ 390.12466 187.7
[M-H]- 366.12816 193.3
[M+NH4]+ 385.16926 195.6
[M+K]+ 406.09860 182.4
[M+H-H2O]+ 350.13270 174.9
[M+HCOO]- 412.13364 201.0
[M+CH3COO]- 426.14929 218.8
[M+Na-2H]- 388.11011 186.5
[M]+ 367.13489 182.6
[M]- 367.13599 182.6
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.