CID 58931

3-(azepan-1-ylmethyl)-1h-indole-5-carbonitrile

Structural Information

Molecular Formula
C16H19N3
SMILES
C1CCCN(CC1)CC2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C16H19N3/c17-10-13-5-6-16-15(9-13)14(11-18-16)12-19-7-3-1-2-4-8-19/h5-6,9,11,18H,1-4,7-8,12H2
InChIKey
UKLWZZWLUVCPDA-UHFFFAOYSA-N
Compound name
3-(azepan-1-ylmethyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 164.1
[M+Na]+ 276.14712 174.4
[M+NH4]+ 271.19172 168.5
[M+K]+ 292.12106 166.6
[M-H]- 252.15062 160.0
[M+Na-2H]- 274.13257 167.4
[M]+ 253.15735 163.7
[M]- 253.15845 163.7
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.