CID 205101

Compound 22

Structural Information

Molecular Formula
C20H24N2OS
SMILES
C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H24N2OS/c23-16-10-14-21(15-11-16)12-5-13-22-17-6-1-3-8-19(17)24-20-9-4-2-7-18(20)22/h1-4,6-9,16,23H,5,10-15H2
InChIKey
DVOZVMGNANFGKF-UHFFFAOYSA-N
Compound name
1-(3-phenothiazin-10-ylpropyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16095 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 177.8
[M+Na]+ 363.15017 183.0
[M-H]- 339.15367 180.3
[M+NH4]+ 358.19477 190.1
[M+K]+ 379.12411 175.9
[M+H-H2O]+ 323.15821 168.3
[M+HCOO]- 385.15915 185.2
[M+CH3COO]- 399.17480 185.6
[M+Na-2H]- 361.13562 180.2
[M]+ 340.16040 174.8
[M]- 340.16150 174.8
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