CID 25690

13082-24-1

Structural Information

Molecular Formula
C23H29N3O2S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)CN4CCOCC4)N(C)C
InChI
InChI=1S/C23H29N3O2S/c1-17(24(2)3)15-26-19-6-4-5-7-22(19)29-23-9-8-18(14-20(23)26)21(27)16-25-10-12-28-13-11-25/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKey
WLZQYAHCMAYIJT-UHFFFAOYSA-N
Compound name
1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.19806 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.20534 196.0
[M+Na]+ 434.18728 208.1
[M+NH4]+ 429.23188 204.0
[M+K]+ 450.16122 199.1
[M-H]- 410.19078 202.2
[M+Na-2H]- 432.17273 200.8
[M]+ 411.19751 200.0
[M]- 411.19861 200.0
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.