CID 218092

40255-59-2

Structural Information

Molecular Formula
C22H27ClN2O2S
SMILES
C1CN(CCC1OCCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C22H27ClN2O2S/c23-17-6-7-22-20(16-17)25(19-4-1-2-5-21(19)28-22)11-3-10-24-12-8-18(9-13-24)27-15-14-26/h1-2,4-7,16,18,26H,3,8-15H2
InChIKey
JZYHNROLVUIDQI-UHFFFAOYSA-N
Compound name
2-[1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidin-4-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

418.14816 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15544 195.1
[M+Na]+ 441.13738 200.5
[M-H]- 417.14088 197.4
[M+NH4]+ 436.18198 205.3
[M+K]+ 457.11132 192.7
[M+H-H2O]+ 401.14542 185.9
[M+HCOO]- 463.14636 197.4
[M+CH3COO]- 477.16201 201.8
[M+Na-2H]- 439.12283 195.8
[M]+ 418.14761 196.7
[M]- 418.14871 196.7
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