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 176.3
[M+Na]+ 346.15262 182.3
[M-H]- 322.15612 182.9
[M+NH4]+ 341.19722 190.6
[M+K]+ 362.12656 173.4
[M+H-H2O]+ 306.16066 171.9
[M+HCOO]- 368.16160 200.5
[M+CH3COO]- 382.17725 207.3
[M+Na-2H]- 344.13807 181.8
[M]+ 323.16285 177.0
[M]- 323.16395 177.0
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

No patent data available for this compound.