CID 9554240

Brn 0934405

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
CC(C)CCSC1=CC=C(C=C1)C(=O)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C19H21N3O2S/c1-14(2)9-12-25-17-5-3-15(4-6-17)18(23)13-21-22-19(24)16-7-10-20-11-8-16/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,22,24)/b21-13+
InChIKey
YJKDKMWDBYVJAT-FYJGNVAPSA-N
Compound name
N-[(E)-[2-[4-(3-methylbutylsulfanyl)phenyl]-2-oxoethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13544 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 183.6
[M+Na]+ 378.12466 194.1
[M+NH4]+ 373.16926 189.8
[M+K]+ 394.09860 185.5
[M-H]- 354.12816 187.4
[M+Na-2H]- 376.11011 190.6
[M]+ 355.13489 186.4
[M]- 355.13599 186.4
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.