CID 201692

Phenothiazine, 10-(3-(8-azaspiro(4.5)dec-8-yl)propyl)-3-methyl-, hydrochloride

Structural Information

Molecular Formula
C25H32N2S
SMILES
CC1=CC2=C(C=C1)N(C3=CC=CC=C3S2)CCCN4CCC5(CCCC5)CC4
InChI
InChI=1S/C25H32N2S/c1-20-9-10-22-24(19-20)28-23-8-3-2-7-21(23)27(22)16-6-15-26-17-13-25(14-18-26)11-4-5-12-25/h2-3,7-10,19H,4-6,11-18H2,1H3
InChIKey
UWAAJWWAFLXNSB-UHFFFAOYSA-N
Compound name
10-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-3-methylphenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.2286 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.23588 196.2
[M+Na]+ 415.21782 201.0
[M-H]- 391.22132 201.6
[M+NH4]+ 410.26242 211.0
[M+K]+ 431.19176 193.2
[M+H-H2O]+ 375.22586 185.5
[M+HCOO]- 437.22680 202.6
[M+CH3COO]- 451.24245 203.2
[M+Na-2H]- 413.20327 194.6
[M]+ 392.22805 191.8
[M]- 392.22915 191.8
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.