CID 218099

40255-64-9

Structural Information

Molecular Formula
C23H30N2O2S
SMILES
CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)OCCO
InChI
InChI=1S/C23H30N2O2S/c1-18-7-8-23-21(17-18)25(20-5-2-3-6-22(20)28-23)12-4-11-24-13-9-19(10-14-24)27-16-15-26/h2-3,5-8,17,19,26H,4,9-16H2,1H3
InChIKey
XCBHCMSVBJHGJI-UHFFFAOYSA-N
Compound name
2-[1-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

398.2028 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21008 194.6
[M+Na]+ 421.19202 198.8
[M-H]- 397.19552 196.7
[M+NH4]+ 416.23662 204.5
[M+K]+ 437.16596 191.8
[M+H-H2O]+ 381.20006 184.4
[M+HCOO]- 443.20100 200.9
[M+CH3COO]- 457.21665 201.1
[M+Na-2H]- 419.17747 195.0
[M]+ 398.20225 194.2
[M]- 398.20335 194.2
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.