CID 13157074

Indole, 2-((diethylamino)methyl)-5-nitro-3-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CCN(CC)CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C19H21N3O2/c1-3-21(4-2)13-18-19(14-8-6-5-7-9-14)16-12-15(22(23)24)10-11-17(16)20-18/h5-12,20H,3-4,13H2,1-2H3
InChIKey
PWCKQGLYRBTSOH-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 175.5
[M+Na]+ 346.15262 189.9
[M+NH4]+ 341.19722 183.6
[M+K]+ 362.12656 186.2
[M-H]- 322.15612 181.7
[M+Na-2H]- 344.13807 183.3
[M]+ 323.16285 179.3
[M]- 323.16395 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.