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]+ 414.22096 197.0
[M+Na]+ 436.20290 199.5
[M-H]- 412.20640 200.8
[M+NH4]+ 431.24750 204.9
[M+K]+ 452.17684 195.4
[M+H-H2O]+ 396.21094 186.5
[M+HCOO]- 458.21188 203.0
[M+CH3COO]- 472.22753 203.2
[M+Na-2H]- 434.18835 197.8
[M]+ 413.21313 196.8
[M]- 413.21423 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.