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 155.6
[M+Na]+ 250.13146 165.9
[M-H]- 226.13496 157.9
[M+NH4]+ 245.17606 173.1
[M+K]+ 266.10540 160.3
[M+H-H2O]+ 210.13950 141.6
[M+HCOO]- 272.14044 175.3
[M+CH3COO]- 286.15609 206.1
[M+Na-2H]- 248.11691 159.7
[M]+ 227.14169 152.5
[M]- 227.14279 152.5
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.