CID 202605

Brn 1179256

Structural Information

Molecular Formula
C23H31N3O2S
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(CN4CCOCC4)O
InChI
InChI=1S/C23H31N3O2S/c1-24(2)10-5-11-26-19-6-3-4-7-22(19)29-23-9-8-18(16-20(23)26)21(27)17-25-12-14-28-15-13-25/h3-4,6-9,16,21,27H,5,10-15,17H2,1-2H3
InChIKey
OXBSFSOZXGWBCT-UHFFFAOYSA-N
Compound name
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.21368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.220956 197.0
[M+Na]+ 436.202898 199.5
[M-H]- 412.206404 200.8
[M+NH4]+ 431.247503 204.9
[M+K]+ 452.176838 195.4
[M+H-H2O]+ 396.210940 186.5
[M+HCOO]- 458.211881 203.0
[M+CH3COO]- 472.227531 203.2
[M+Na-2H]- 434.188346 197.8
[M]+ 413.21313142 196.8
[M]- 413.21422858 196.8
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

No patent data available for this compound.