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]+ 256.18083 163.6
[M+Na]+ 278.16277 173.1
[M-H]- 254.16627 165.5
[M+NH4]+ 273.20737 180.0
[M+K]+ 294.13671 167.0
[M+H-H2O]+ 238.17081 149.2
[M+HCOO]- 300.17175 182.7
[M+CH3COO]- 314.18740 211.4
[M+Na-2H]- 276.14822 166.7
[M]+ 255.17300 161.1
[M]- 255.17410 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.