CID 13157076

Indole, 5-nitro-3-phenyl-2-(1-pyrrolidinylmethyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H19N3O2
SMILES
C1CCN(C1)CC2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C19H19N3O2/c23-22(24)15-8-9-17-16(12-15)19(14-6-2-1-3-7-14)18(20-17)13-21-10-4-5-11-21/h1-3,6-9,12,20H,4-5,10-11,13H2
InChIKey
PQHALALUWWDLTF-UHFFFAOYSA-N
Compound name
5-nitro-3-phenyl-2-(pyrrolidin-1-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 173.7
[M+Na]+ 344.13696 187.9
[M+NH4]+ 339.18156 182.0
[M+K]+ 360.11090 186.1
[M-H]- 320.14046 180.0
[M+Na-2H]- 342.12241 181.6
[M]+ 321.14719 177.4
[M]- 321.14829 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.