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]+ 322.155016 174.3
[M+Na]+ 344.136958 179.9
[M-H]- 320.140464 181.5
[M+NH4]+ 339.181563 188.2
[M+K]+ 360.110898 169.8
[M+H-H2O]+ 304.145000 169.5
[M+HCOO]- 366.145941 194.9
[M+CH3COO]- 380.161591 198.8
[M+Na-2H]- 342.122406 177.7
[M]+ 321.14719142 170.4
[M]- 321.14828858 170.4
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.