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]+ 276.170676 164.5
[M+Na]+ 298.152618 170.6
[M-H]- 274.156124 167.7
[M+NH4]+ 293.197223 181.2
[M+K]+ 314.126558 163.1
[M+H-H2O]+ 258.160660 161.4
[M+HCOO]- 320.161601 188.9
[M+CH3COO]- 334.177251 198.4
[M+Na-2H]- 296.138066 170.4
[M]+ 275.16285142 166.0
[M]- 275.16394858 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.