CID 201723

Phenothiazine, 10-(3-(3-azaspiro(5.5)undec-3-yl)propyl)-1-methyl-, hydrochloride

Structural Information

Molecular Formula
C26H34N2S
SMILES
CC1=C2C(=CC=C1)SC3=CC=CC=C3N2CCCN4CCC5(CCCCC5)CC4
InChI
InChI=1S/C26H34N2S/c1-21-9-7-12-24-25(21)28(22-10-3-4-11-23(22)29-24)18-8-17-27-19-15-26(16-20-27)13-5-2-6-14-26/h3-4,7,9-12H,2,5-6,8,13-20H2,1H3
InChIKey
FDPHAGCRYKAZGM-UHFFFAOYSA-N
Compound name
10-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]-1-methylphenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.24426 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.25154 198.4
[M+Na]+ 429.23348 201.3
[M-H]- 405.23698 202.6
[M+NH4]+ 424.27808 210.3
[M+K]+ 445.20742 193.4
[M+H-H2O]+ 389.24152 186.0
[M+HCOO]- 451.24246 202.0
[M+CH3COO]- 465.25811 204.0
[M+Na-2H]- 427.21893 198.7
[M]+ 406.24371 191.6
[M]- 406.24481 191.6
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.