CID 3074312

156213-22-8

Structural Information

Molecular Formula
C24H28N2O2S
SMILES
COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)C[C@@H]4CCCN5C4CCCC5
InChI
InChI=1S/C24H28N2O2S/c1-28-18-11-12-23-21(16-18)26(20-9-2-3-10-22(20)29-23)24(27)15-17-7-6-14-25-13-5-4-8-19(17)25/h2-3,9-12,16-17,19H,4-8,13-15H2,1H3/t17-,19?/m0/s1
InChIKey
RWBZLDHRVNXFQH-KKFHFHRHSA-N
Compound name
2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-(2-methoxyphenothiazin-10-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.18716 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.194436 194.5
[M+Na]+ 431.176378 197.7
[M-H]- 407.179884 198.0
[M+NH4]+ 426.220983 205.0
[M+K]+ 447.150318 191.4
[M+H-H2O]+ 391.184420 183.6
[M+HCOO]- 453.185361 197.9
[M+CH3COO]- 467.201011 200.5
[M+Na-2H]- 429.161826 194.9
[M]+ 408.18661142 190.7
[M]- 408.18770858 190.7
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.