CID 156314

Dipropyl-5-ct

Structural Information

Molecular Formula
C17H25N3O
SMILES
CCCN(CCC)CCC1=CNC2=C1C=C(C=C2)C(=O)N
InChI
InChI=1S/C17H25N3O/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21)
InChIKey
DPXOFRGRKPFZOD-UHFFFAOYSA-N
Compound name
3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

130
Patents

287.19977 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 171.2
[M+Na]+ 310.18899 177.1
[M-H]- 286.19249 173.7
[M+NH4]+ 305.23359 187.8
[M+K]+ 326.16293 173.0
[M+H-H2O]+ 270.19703 163.2
[M+HCOO]- 332.19797 193.6
[M+CH3COO]- 346.21362 209.6
[M+Na-2H]- 308.17444 172.8
[M]+ 287.19922 173.2
[M]- 287.20032 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe