CID 218309

40474-44-0

Structural Information

Molecular Formula
C22H28N2O2S
SMILES
C1CN(CCC1OCCO)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H28N2O2S/c25-16-17-26-18-10-14-23(15-11-18)12-5-13-24-19-6-1-3-8-21(19)27-22-9-4-2-7-20(22)24/h1-4,6-9,18,25H,5,10-17H2
InChIKey
ZCZFZLQONKOVLS-UHFFFAOYSA-N
Compound name
2-[1-(3-phenothiazin-10-ylpropyl)piperidin-4-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.18716 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19444 189.2
[M+Na]+ 407.17638 193.1
[M-H]- 383.17988 191.3
[M+NH4]+ 402.22098 199.5
[M+K]+ 423.15032 186.3
[M+H-H2O]+ 367.18442 179.1
[M+HCOO]- 429.18536 196.0
[M+CH3COO]- 443.20101 195.9
[M+Na-2H]- 405.16183 190.9
[M]+ 384.18661 188.2
[M]- 384.18771 188.2
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

patents stripe