CID 58954

5-methoxy-3-(heptamethyleneiminomethyl)indole

Structural Information

Molecular Formula
C17H24N2O
SMILES
COC1=CC2=C(C=C1)NC=C2CN3CCCCCCC3
InChI
InChI=1S/C17H24N2O/c1-20-15-7-8-17-16(11-15)14(12-18-17)13-19-9-5-3-2-4-6-10-19/h7-8,11-12,18H,2-6,9-10,13H2,1H3
InChIKey
BQCDTXARIOTIAU-UHFFFAOYSA-N
Compound name
3-(azocan-1-ylmethyl)-5-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 163.5
[M+Na]+ 295.17809 167.8
[M-H]- 271.18159 165.0
[M+NH4]+ 290.22269 170.5
[M+K]+ 311.15203 166.4
[M+H-H2O]+ 255.18613 158.4
[M+HCOO]- 317.18707 170.9
[M+CH3COO]- 331.20272 167.2
[M+Na-2H]- 293.16354 162.3
[M]+ 272.18832 161.9
[M]- 272.18942 161.9
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.