CID 218105

40255-67-2

Structural Information

Molecular Formula
C21H26N2O2S
SMILES
C1CN(CCC1OCCO)CCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H26N2O2S/c24-15-16-25-17-9-11-22(12-10-17)13-14-23-18-5-1-3-7-20(18)26-21-8-4-2-6-19(21)23/h1-8,17,24H,9-16H2
InChIKey
FKFBPRUOIQSLQF-UHFFFAOYSA-N
Compound name
2-[1-(2-phenothiazin-10-ylethyl)piperidin-4-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

370.1715 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17878 185.1
[M+Na]+ 393.16072 189.5
[M-H]- 369.16422 187.3
[M+NH4]+ 388.20532 195.9
[M+K]+ 409.13466 182.8
[M+H-H2O]+ 353.16876 175.2
[M+HCOO]- 415.16970 192.2
[M+CH3COO]- 429.18535 192.2
[M+Na-2H]- 391.14617 187.2
[M]+ 370.17095 183.7
[M]- 370.17205 183.7
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