CID 6479573

Brn 1401637

Structural Information

Molecular Formula
C20H21N3O2S
SMILES
C1CCN(C1)CC(=O)N/N=C/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2S/c24-19(14-21-22-20(25)15-23-12-4-5-13-23)16-8-10-18(11-9-16)26-17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13,15H2,(H,22,25)/b21-14+
InChIKey
GVKDHCXWYAGUNK-KGENOOAVSA-N
Compound name
N-[(E)-[2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.13544 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14272 187.4
[M+Na]+ 390.12466 190.8
[M-H]- 366.12816 196.1
[M+NH4]+ 385.16926 199.8
[M+K]+ 406.09860 185.8
[M+H-H2O]+ 350.13270 177.6
[M+HCOO]- 412.13364 205.3
[M+CH3COO]- 426.14929 218.1
[M+Na-2H]- 388.11011 186.6
[M]+ 367.13489 187.1
[M]- 367.13599 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.