CID 213564

1-oxa-3,8-diazaspiro(4.5)decane-2,4-dione, 8-(3-(2-chloro-10h-phenothiazin-10-yl)propyl)-3-methyl-, monohydrochloride

Structural Information

Molecular Formula
C23H24ClN3O3S
SMILES
CN1C(=O)C2(CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)OC1=O
InChI
InChI=1S/C23H24ClN3O3S/c1-25-21(28)23(30-22(25)29)9-13-26(14-10-23)11-4-12-27-17-5-2-3-6-19(17)31-20-8-7-16(24)15-18(20)27/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey
DARLERGTEZKTTI-UHFFFAOYSA-N
Compound name
8-[3-(2-chlorophenothiazin-10-yl)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.12268 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.12996 207.6
[M+Na]+ 480.11190 216.3
[M-H]- 456.11540 213.7
[M+NH4]+ 475.15650 218.4
[M+K]+ 496.08584 210.0
[M+H-H2O]+ 440.11994 197.9
[M+HCOO]- 502.12088 208.6
[M+CH3COO]- 516.13653 214.9
[M+Na-2H]- 478.09735 205.6
[M]+ 457.12213 209.8
[M]- 457.12323 209.8
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.