CID 218101

40255-65-0

Structural Information

Molecular Formula
C23H29ClN2O2S
SMILES
CC(CN1CCC(CC1)OCCO)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C23H29ClN2O2S/c1-17(15-25-10-8-19(9-11-25)28-13-12-27)16-26-20-4-2-3-5-22(20)29-23-7-6-18(24)14-21(23)26/h2-7,14,17,19,27H,8-13,15-16H2,1H3
InChIKey
JSQIQIGJIVHIOQ-UHFFFAOYSA-N
Compound name
2-[1-[3-(2-chlorophenothiazin-10-yl)-2-methylpropyl]piperidin-4-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

432.16382 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17110 199.0
[M+Na]+ 455.15304 203.5
[M-H]- 431.15654 201.2
[M+NH4]+ 450.19764 208.4
[M+K]+ 471.12698 196.1
[M+H-H2O]+ 415.16108 189.8
[M+HCOO]- 477.16202 199.9
[M+CH3COO]- 491.17767 205.1
[M+Na-2H]- 453.13849 198.3
[M]+ 432.16327 200.4
[M]- 432.16437 200.4
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