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]+ 325.13692 174.4
[M+Na]+ 347.11886 180.4
[M-H]- 323.12236 177.8
[M+NH4]+ 342.16346 189.2
[M+K]+ 363.09280 173.7
[M+H-H2O]+ 307.12690 166.3
[M+HCOO]- 369.12784 183.7
[M+CH3COO]- 383.14349 183.2
[M+Na-2H]- 345.10431 174.8
[M]+ 324.12909 172.1
[M]- 324.13019 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.