CID 9567575

N-[(z)-[2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino]-2-(1-piperidyl)acetamide

Structural Information

Molecular Formula
C21H23N3O2S
SMILES
C1CCN(CC1)CC(=O)N/N=C\C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C21H23N3O2S/c25-20(15-22-23-21(26)16-24-13-5-2-6-14-24)17-9-11-19(12-10-17)27-18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,23,26)/b22-15-
InChIKey
NPGBEKUQIPIVME-JCMHNJIXSA-N
Compound name
N-[(Z)-[2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.1511 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15838 189.6
[M+Na]+ 404.14032 191.4
[M-H]- 380.14382 197.2
[M+NH4]+ 399.18492 199.2
[M+K]+ 420.11426 185.9
[M+H-H2O]+ 364.14836 178.8
[M+HCOO]- 426.14930 204.8
[M+CH3COO]- 440.16495 221.7
[M+Na-2H]- 402.12577 190.2
[M]+ 381.15055 187.1
[M]- 381.15165 187.1
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.