CID 218095

40255-61-6

Structural Information

Molecular Formula
C23H30N2O3S
SMILES
COC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)OCCO
InChI
InChI=1S/C23H30N2O3S/c1-27-19-7-8-23-21(17-19)25(20-5-2-3-6-22(20)29-23)12-4-11-24-13-9-18(10-14-24)28-16-15-26/h2-3,5-8,17-18,26H,4,9-16H2,1H3
InChIKey
MEVHRLFDCAZNOL-UHFFFAOYSA-N
Compound name
2-[1-[3-(2-methoxyphenothiazin-10-yl)propyl]piperidin-4-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

414.19772 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20500 197.4
[M+Na]+ 437.18694 201.3
[M-H]- 413.19044 199.5
[M+NH4]+ 432.23154 206.5
[M+K]+ 453.16088 195.1
[M+H-H2O]+ 397.19498 187.1
[M+HCOO]- 459.19592 203.9
[M+CH3COO]- 473.21157 203.7
[M+Na-2H]- 435.17239 198.1
[M]+ 414.19717 198.5
[M]- 414.19827 198.5
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

patents stripe