CID 3076361

Spiro(piperidine-4,1'-(1h)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-2'-(4-morpholinylacetyl)-1-(phenylmethyl)-, dihydrate

Structural Information

Molecular Formula
C28H34N4O2
SMILES
C1CN(C2(CCN(CC2)CC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4)C(=O)CN6CCOCC6
InChI
InChI=1S/C28H34N4O2/c33-26(21-31-16-18-34-19-17-31)32-13-10-24-23-8-4-5-9-25(23)29-27(24)28(32)11-14-30(15-12-28)20-22-6-2-1-3-7-22/h1-9,29H,10-21H2
InChIKey
PYKSSDHCCCWOQU-UHFFFAOYSA-N
Compound name
1-(1'-benzylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.2682 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.27548 213.3
[M+Na]+ 481.25742 215.4
[M-H]- 457.26092 218.0
[M+NH4]+ 476.30202 218.3
[M+K]+ 497.23136 207.9
[M+H-H2O]+ 441.26546 198.1
[M+HCOO]- 503.26640 216.8
[M+CH3COO]- 517.28205 216.9
[M+Na-2H]- 479.24287 211.2
[M]+ 458.26765 203.9
[M]- 458.26875 203.9
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.