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]+ 268.18083 160.2
[M+Na]+ 290.16277 165.5
[M-H]- 266.16627 160.9
[M+NH4]+ 285.20737 166.4
[M+K]+ 306.13671 162.5
[M+H-H2O]+ 250.17081 152.4
[M+HCOO]- 312.17175 166.0
[M+CH3COO]- 326.18740 163.3
[M+Na-2H]- 288.14822 159.1
[M]+ 267.17300 155.9
[M]- 267.17410 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.