CID 25668

13065-64-0

Structural Information

Molecular Formula
C23H29N3O2S
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)CN4CCOCC4
InChI
InChI=1S/C23H29N3O2S/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/h3-4,6-9,16H,5,10-15,17H2,1-2H3
InChIKey
TYPDTFWUBJTYNI-UHFFFAOYSA-N
Compound name
1-[10-[3-(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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.205336 197.3
[M+Na]+ 434.187278 200.5
[M-H]- 410.190784 202.5
[M+NH4]+ 429.231883 205.9
[M+K]+ 450.161218 196.5
[M+H-H2O]+ 394.195320 186.4
[M+HCOO]- 456.196261 204.9
[M+CH3COO]- 470.211911 204.1
[M+Na-2H]- 432.172726 198.3
[M]+ 411.19751142 198.1
[M]- 411.19860858 198.1
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.