CID 27415

Of 2527

Structural Information

Molecular Formula
C22H28N2O
SMILES
C1CCN2CCCC(C2C1)CN3C4=CC=CC=C4C5=C3C(=O)CCC5
InChI
InChI=1S/C22H28N2O/c25-21-12-5-9-18-17-8-1-2-11-20(17)24(22(18)21)15-16-7-6-14-23-13-4-3-10-19(16)23/h1-2,8,11,16,19H,3-7,9-10,12-15H2
InChIKey
WIGSSLOMFQEXJJ-UHFFFAOYSA-N
Compound name
9-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.22015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 182.5
[M+Na]+ 359.20937 186.9
[M-H]- 335.21287 187.0
[M+NH4]+ 354.25397 197.4
[M+K]+ 375.18331 179.7
[M+H-H2O]+ 319.21741 171.7
[M+HCOO]- 381.21835 192.8
[M+CH3COO]- 395.23400 190.3
[M+Na-2H]- 357.19482 182.3
[M]+ 336.21960 175.4
[M]- 336.22070 175.4
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.