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 185.0
[M+Na]+ 390.16106 189.7
[M-H]- 366.16456 189.2
[M+NH4]+ 385.20566 198.4
[M+K]+ 406.13500 183.3
[M+H-H2O]+ 350.16910 176.0
[M+HCOO]- 412.17004 196.2
[M+CH3COO]- 426.18569 193.2
[M+Na-2H]- 388.14651 185.9
[M]+ 367.17129 184.4
[M]- 367.17239 184.4
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.