CID 3065019

10-(n-(3-(1-pyrrolidinyl)propyl)glycyl)phenothiazine dimaleate

Structural Information

Molecular Formula
C21H25N3OS
SMILES
C1CCN(C1)CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H25N3OS/c25-21(16-22-12-7-15-23-13-5-6-14-23)24-17-8-1-3-10-19(17)26-20-11-4-2-9-18(20)24/h1-4,8-11,22H,5-7,12-16H2
InChIKey
XAIZHVYRUPEIGE-UHFFFAOYSA-N
Compound name
1-phenothiazin-10-yl-2-(3-pyrrolidin-1-ylpropylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.17184 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17912 185.8
[M+Na]+ 390.16106 197.2
[M+NH4]+ 385.20566 194.6
[M+K]+ 406.13500 188.4
[M-H]- 366.16456 190.3
[M+Na-2H]- 388.14651 191.1
[M]+ 367.17129 189.1
[M]- 367.17239 189.1
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.