CID 38972

5h-cyclohept(b)indole, 6,7,8,9,10-pentahydro-5-(2-diethylaminoethyl)-2-methoxy-, oxalate

Structural Information

Molecular Formula
C20H30N2O
SMILES
CCN(CC)CCN1C2=C(CCCCC2)C3=C1C=CC(=C3)OC
InChI
InChI=1S/C20H30N2O/c1-4-21(5-2)13-14-22-19-10-8-6-7-9-17(19)18-15-16(23-3)11-12-20(18)22/h11-12,15H,4-10,13-14H2,1-3H3
InChIKey
CSTBXNHMVPFYGK-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2358 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 176.8
[M+Na]+ 337.22502 182.1
[M-H]- 313.22852 183.0
[M+NH4]+ 332.26962 193.8
[M+K]+ 353.19896 181.7
[M+H-H2O]+ 297.23306 169.7
[M+HCOO]- 359.23400 196.5
[M+CH3COO]- 373.24965 215.7
[M+Na-2H]- 335.21047 178.9
[M]+ 314.23525 177.8
[M]- 314.23635 177.8
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.