CID 3065182

10-(n-(3-morpholinopropyl)glycyl)phenothiazine dimaleate

Structural Information

Molecular Formula
C21H25N3O2S
SMILES
C1COCCN1CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H25N3O2S/c25-21(16-22-10-5-11-23-12-14-26-15-13-23)24-17-6-1-3-8-19(17)27-20-9-4-2-7-18(20)24/h1-4,6-9,22H,5,10-16H2
InChIKey
XFXDHXABNUBMBO-UHFFFAOYSA-N
Compound name
2-(3-morpholin-4-ylpropylamino)-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.16675 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17403 186.5
[M+Na]+ 406.15597 189.9
[M-H]- 382.15947 190.5
[M+NH4]+ 401.20057 195.6
[M+K]+ 422.12991 185.0
[M+H-H2O]+ 366.16401 176.2
[M+HCOO]- 428.16495 194.6
[M+CH3COO]- 442.18060 193.6
[M+Na-2H]- 404.14142 190.1
[M]+ 383.16620 185.1
[M]- 383.16730 185.1
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.