CID 58969

101832-08-0

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]+ 290.113536 162.2
[M+Na]+ 312.095478 167.2
[M-H]- 288.098984 166.2
[M+NH4]+ 307.140083 174.2
[M+K]+ 328.069418 160.3
[M+H-H2O]+ 272.103520 158.1
[M+HCOO]- 334.104461 179.7
[M+CH3COO]- 348.120111 191.1
[M+Na-2H]- 310.080926 168.3
[M]+ 289.10571142 158.5
[M]- 289.10680858 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.