CID 227840

Nsc19976

Structural Information

Molecular Formula
C24H29ClN2S
SMILES
C1CCC2(CC1)CCCN2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C24H29ClN2S/c25-19-10-11-23-21(18-19)27(20-8-2-3-9-22(20)28-23)17-7-16-26-15-6-14-24(26)12-4-1-5-13-24/h2-3,8-11,18H,1,4-7,12-17H2
InChIKey
JGALTZABCXYMHO-UHFFFAOYSA-N
Compound name
10-[3-(1-azaspiro[4.5]decan-1-yl)propyl]-2-chlorophenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.174 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18128 198.9
[M+Na]+ 435.16322 204.8
[M-H]- 411.16672 204.4
[M+NH4]+ 430.20782 213.8
[M+K]+ 451.13716 196.2
[M+H-H2O]+ 395.17126 188.7
[M+HCOO]- 457.17220 201.1
[M+CH3COO]- 471.18785 206.0
[M+Na-2H]- 433.14867 197.3
[M]+ 412.17345 196.4
[M]- 412.17455 196.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.