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 197.1
[M+Na]+ 434.18728 199.9
[M-H]- 410.19078 202.4
[M+NH4]+ 429.23188 205.6
[M+K]+ 450.16122 196.6
[M+H-H2O]+ 394.19532 186.6
[M+HCOO]- 456.19626 203.7
[M+CH3COO]- 470.21191 203.9
[M+Na-2H]- 432.17273 197.2
[M]+ 411.19751 197.4
[M]- 411.19861 197.4
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.