CID 58928

5-cyano-3-diethylaminomethyl indole

Structural Information

Molecular Formula
C14H17N3
SMILES
CCN(CC)CC1=CNC2=C1C=C(C=C2)C#N
InChI
InChI=1S/C14H17N3/c1-3-17(4-2)10-12-9-16-14-6-5-11(8-15)7-13(12)14/h5-7,9,16H,3-4,10H2,1-2H3
InChIKey
JYMRXQIKDFQBFP-UHFFFAOYSA-N
Compound name
3-(diethylaminomethyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.14224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 155.0
[M+Na]+ 250.13146 166.8
[M+NH4]+ 245.17606 159.9
[M+K]+ 266.10540 157.9
[M-H]- 226.13496 150.1
[M+Na-2H]- 248.11691 158.3
[M]+ 227.14169 154.4
[M]- 227.14279 154.4
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.