CID 3021455

Brn 4520912

Structural Information

Molecular Formula
C19H20N2OS
SMILES
C1CCN(C1)CCC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4N3
InChI
InChI=1S/C19H20N2OS/c22-17(9-12-21-10-3-4-11-21)14-7-8-19-16(13-14)20-15-5-1-2-6-18(15)23-19/h1-2,5-8,13,20H,3-4,9-12H2
InChIKey
JWCOQBFSAJVYGW-UHFFFAOYSA-N
Compound name
1-(10H-phenothiazin-2-yl)-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12964 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.136916 174.4
[M+Na]+ 347.118858 180.4
[M-H]- 323.122364 177.8
[M+NH4]+ 342.163463 189.2
[M+K]+ 363.092798 173.7
[M+H-H2O]+ 307.126900 166.3
[M+HCOO]- 369.127841 183.7
[M+CH3COO]- 383.143491 183.2
[M+Na-2H]- 345.104306 174.8
[M]+ 324.12909142 172.1
[M]- 324.13018858 172.1
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.