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]+ 412.205336 197.1
[M+Na]+ 434.187278 199.9
[M-H]- 410.190784 202.4
[M+NH4]+ 429.231883 205.6
[M+K]+ 450.161218 196.6
[M+H-H2O]+ 394.195320 186.6
[M+HCOO]- 456.196261 203.7
[M+CH3COO]- 470.211911 203.9
[M+Na-2H]- 432.172726 197.2
[M]+ 411.19751142 197.4
[M]- 411.19860858 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.