CID 26540

14187-10-1

Structural Information

Molecular Formula
C31H36N2O2
SMILES
CCOC(=O)C1(CCN(CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C31H36N2O2/c1-2-35-30(34)31(27-13-4-3-5-14-27)19-23-32(24-20-31)21-10-22-33-28-15-8-6-11-25(28)17-18-26-12-7-9-16-29(26)33/h3-9,11-16H,2,10,17-24H2,1H3
InChIKey
VKSWAIVXTXRUKZ-UHFFFAOYSA-N
Compound name
ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.27768 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.28496 222.3
[M+Na]+ 491.26690 224.4
[M-H]- 467.27040 229.2
[M+NH4]+ 486.31150 229.7
[M+K]+ 507.24084 220.5
[M+H-H2O]+ 451.27494 209.6
[M+HCOO]- 513.27588 232.1
[M+CH3COO]- 527.29153 226.9
[M+Na-2H]- 489.25235 222.2
[M]+ 468.27713 216.3
[M]- 468.27823 216.3
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.