CID 3077122

2-furancarboxamide, 5-nitro-n-(2-(1-piperidinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H17N3O4
SMILES
C1CCN(CC1)CCNC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H17N3O4/c16-12(10-4-5-11(19-10)15(17)18)13-6-9-14-7-2-1-3-8-14/h4-5H,1-3,6-9H2,(H,13,16)
InChIKey
VAWJTLMQLGFDBH-UHFFFAOYSA-N
Compound name
5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.12192 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.129196 159.7
[M+Na]+ 290.111138 162.2
[M-H]- 266.114644 164.7
[M+NH4]+ 285.155743 173.2
[M+K]+ 306.085078 157.5
[M+H-H2O]+ 250.119180 156.0
[M+HCOO]- 312.120121 180.6
[M+CH3COO]- 326.135771 190.4
[M+Na-2H]- 288.096586 164.6
[M]+ 267.12137142 155.3
[M]- 267.12246858 155.3
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.