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]+ 268.12920 159.7
[M+Na]+ 290.11114 162.2
[M-H]- 266.11464 164.7
[M+NH4]+ 285.15574 173.2
[M+K]+ 306.08508 157.5
[M+H-H2O]+ 250.11918 156.0
[M+HCOO]- 312.12012 180.6
[M+CH3COO]- 326.13577 190.4
[M+Na-2H]- 288.09659 164.6
[M]+ 267.12137 155.3
[M]- 267.12247 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.