CID 58929

5-cyano-3-di-n-propylaminomethyl indole

Structural Information

Molecular Formula
C16H21N3
SMILES
CCCN(CCC)CC1=CNC2=C1C=C(C=C2)C#N
InChI
InChI=1S/C16H21N3/c1-3-7-19(8-4-2)12-14-11-18-16-6-5-13(10-17)9-15(14)16/h5-6,9,11,18H,3-4,7-8,12H2,1-2H3
InChIKey
WVBDDGIHWFTNFW-UHFFFAOYSA-N
Compound name
3-[(dipropylamino)methyl]-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.17355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.180826 163.6
[M+Na]+ 278.162768 173.1
[M-H]- 254.166274 165.5
[M+NH4]+ 273.207373 180.0
[M+K]+ 294.136708 167.0
[M+H-H2O]+ 238.170810 149.2
[M+HCOO]- 300.171751 182.7
[M+CH3COO]- 314.187401 211.4
[M+Na-2H]- 276.148216 166.7
[M]+ 255.17300142 161.1
[M]- 255.17409858 161.1
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.