CID 58932

Indole-5-carbonitrile, 3-(hexahydro-1(2h)-azocinylmethyl)-

Structural Information

Molecular Formula
C17H21N3
SMILES
C1CCCN(CCC1)CC2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C17H21N3/c18-11-14-6-7-17-16(10-14)15(12-19-17)13-20-8-4-2-1-3-5-9-20/h6-7,10,12,19H,1-5,8-9,13H2
InChIKey
WUUZKFSRXVUYOB-UHFFFAOYSA-N
Compound name
3-(azocan-1-ylmethyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.17355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.180826 160.2
[M+Na]+ 290.162768 165.5
[M-H]- 266.166274 160.9
[M+NH4]+ 285.207373 166.4
[M+K]+ 306.136708 162.5
[M+H-H2O]+ 250.170810 152.4
[M+HCOO]- 312.171751 166.0
[M+CH3COO]- 326.187401 163.3
[M+Na-2H]- 288.148216 159.1
[M]+ 267.17300142 155.9
[M]- 267.17409858 155.9
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.