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 174.3
[M+Na]+ 344.13696 179.9
[M-H]- 320.14046 181.5
[M+NH4]+ 339.18156 188.2
[M+K]+ 360.11090 169.8
[M+H-H2O]+ 304.14500 169.5
[M+HCOO]- 366.14594 194.9
[M+CH3COO]- 380.16159 198.8
[M+Na-2H]- 342.12241 177.7
[M]+ 321.14719 170.4
[M]- 321.14829 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.