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]+ 282.19648 197.9
[M+Na]+ 304.17842 197.3
[M-H]- 280.18192 197.0
[M+NH4]+ 299.22302 197.2
[M+K]+ 320.15236 196.5
[M+H-H2O]+ 264.18646 189.4
[M+HCOO]- 326.18740 197.7
[M+CH3COO]- 340.20305 198.3
[M+Na-2H]- 302.16387 199.1
[M]+ 281.18865 197.3
[M]- 281.18975 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.