CID 18883

Indole, 3-((dipropylamino)methyl)-5-nitro-

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CCCN(CCC)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H21N3O2/c1-3-7-17(8-4-2)11-12-10-16-15-6-5-13(18(19)20)9-14(12)15/h5-6,9-10,16H,3-4,7-8,11H2,1-2H3
InChIKey
SDTHSDKPFDQUNP-UHFFFAOYSA-N
Compound name
N-[(5-nitro-1H-indol-3-yl)methyl]-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 164.5
[M+Na]+ 298.15262 170.6
[M-H]- 274.15612 167.7
[M+NH4]+ 293.19722 181.2
[M+K]+ 314.12656 163.1
[M+H-H2O]+ 258.16066 161.4
[M+HCOO]- 320.16160 188.9
[M+CH3COO]- 334.17725 198.4
[M+Na-2H]- 296.13807 170.4
[M]+ 275.16285 166.0
[M]- 275.16395 166.0
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.