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]+ 318.14482 171.7
[M+Na]+ 340.12676 176.5
[M-H]- 316.13026 175.1
[M+NH4]+ 335.17136 184.2
[M+K]+ 356.10070 168.4
[M+H-H2O]+ 300.13480 167.4
[M+HCOO]- 362.13574 189.4
[M+CH3COO]- 376.15139 197.3
[M+Na-2H]- 338.11221 175.6
[M]+ 317.13699 168.4
[M]- 317.13809 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.