CID 58935

5-cyano-3-(octamethyleneiminomethyl)indole

Structural Information

Molecular Formula
C18H23N3
SMILES
C1CCCCN(CCC1)CC2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C18H23N3/c19-12-15-7-8-18-17(11-15)16(13-20-18)14-21-9-5-3-1-2-4-6-10-21/h7-8,11,13,20H,1-6,9-10,14H2
InChIKey
GBMQMMJTCCZLQG-UHFFFAOYSA-N
Compound name
3-(azonan-1-ylmethyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.196476 197.9
[M+Na]+ 304.178418 197.3
[M-H]- 280.181924 197.0
[M+NH4]+ 299.223023 197.2
[M+K]+ 320.152358 196.5
[M+H-H2O]+ 264.186460 189.4
[M+HCOO]- 326.187401 197.7
[M+CH3COO]- 340.203051 198.3
[M+Na-2H]- 302.163866 199.1
[M]+ 281.18865142 197.3
[M]- 281.18974858 197.3
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.