CID 3074312

(1s-trans)-2-methoxy-10-((octahydro-2h-quinolizin-1-yl)acetyl)-10h-phenothiazine

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]+ 409.19444 194.5
[M+Na]+ 431.17638 197.7
[M-H]- 407.17988 198.0
[M+NH4]+ 426.22098 205.0
[M+K]+ 447.15032 191.4
[M+H-H2O]+ 391.18442 183.6
[M+HCOO]- 453.18536 197.9
[M+CH3COO]- 467.20101 200.5
[M+Na-2H]- 429.16183 194.9
[M]+ 408.18661 190.7
[M]- 408.18771 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.