CID 27549

6-ethyl-1,2,3,4,5,6-hexahydro-azepino(4,5-b)indole hydrochloride

Structural Information

Molecular Formula
C14H18N2
SMILES
CCN1C2=C(CCNCC2)C3=CC=CC=C31
InChI
InChI=1S/C14H18N2/c1-2-16-13-6-4-3-5-11(13)12-7-9-15-10-8-14(12)16/h3-6,15H,2,7-10H2,1H3
InChIKey
OBSWKZOJIVJJES-UHFFFAOYSA-N
Compound name
6-ethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

214.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 146.7
[M+Na]+ 237.13622 158.1
[M+NH4]+ 232.18082 155.4
[M+K]+ 253.11016 153.6
[M-H]- 213.13972 148.6
[M+Na-2H]- 235.12167 152.1
[M]+ 214.14645 148.9
[M]- 214.14755 148.9
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.