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]+ 228.149516 155.6
[M+Na]+ 250.131458 165.9
[M-H]- 226.134964 157.9
[M+NH4]+ 245.176063 173.1
[M+K]+ 266.105398 160.3
[M+H-H2O]+ 210.139500 141.6
[M+HCOO]- 272.140441 175.3
[M+CH3COO]- 286.156091 206.1
[M+Na-2H]- 248.116906 159.7
[M]+ 227.14169142 152.5
[M]- 227.14278858 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.