CID 51090848

Akos034583622

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CCOC1CCN(CC1)C(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H19N3O4/c1-2-23-12-6-8-18(9-7-12)16(20)13-10-11-4-3-5-14(19(21)22)15(11)17-13/h3-5,10,12,17H,2,6-9H2,1H3
InChIKey
HZNIZGDHAWBOLY-UHFFFAOYSA-N
Compound name
(4-ethoxypiperidin-1-yl)-(7-nitro-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.144816 171.7
[M+Na]+ 340.126758 176.5
[M-H]- 316.130264 175.1
[M+NH4]+ 335.171363 184.2
[M+K]+ 356.100698 168.4
[M+H-H2O]+ 300.134800 167.4
[M+HCOO]- 362.135741 189.4
[M+CH3COO]- 376.151391 197.3
[M+Na-2H]- 338.112206 175.6
[M]+ 317.13699142 168.4
[M]- 317.13808858 168.4
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.