CID 58969

5-nitro-3-morpholinoacetylindole

Structural Information

Molecular Formula
C14H15N3O4
SMILES
C1COCCN1CC(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O4/c18-14(9-16-3-5-21-6-4-16)12-8-15-13-2-1-10(17(19)20)7-11(12)13/h1-2,7-8,15H,3-6,9H2
InChIKey
JAARLKGDPFVDFO-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.10626 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 162.2
[M+Na]+ 312.09548 167.2
[M-H]- 288.09898 166.2
[M+NH4]+ 307.14008 174.2
[M+K]+ 328.06942 160.3
[M+H-H2O]+ 272.10352 158.1
[M+HCOO]- 334.10446 179.7
[M+CH3COO]- 348.12011 191.1
[M+Na-2H]- 310.08093 168.3
[M]+ 289.10571 158.5
[M]- 289.10681 158.5
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.