CID 336735

31350-27-3

Structural Information

Molecular Formula
C14H14N2O4
SMILES
C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC=CO3
InChI
InChI=1S/C14H14N2O4/c17-13(11-3-1-9-19-11)15-5-7-16(8-6-15)14(18)12-4-2-10-20-12/h1-4,9-10H,5-8H2
InChIKey
UPBRPYUDDNJOLW-UHFFFAOYSA-N
Compound name
[4-(furan-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

15
Patents

274.09537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 159.2
[M+Na]+ 297.084588 165.7
[M-H]- 273.088094 167.9
[M+NH4]+ 292.129193 172.7
[M+K]+ 313.058528 165.9
[M+H-H2O]+ 257.092630 151.4
[M+HCOO]- 319.093571 178.4
[M+CH3COO]- 333.109221 171.2
[M+Na-2H]- 295.070036 160.3
[M]+ 274.09482142 160.0
[M]- 274.09591858 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe