CID 762331

4-(furan-2-carbonyl)piperazine-1-carboxamide

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1CN(CCN1C(=O)C2=CC=CO2)C(=O)N
InChI
InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)
InChIKey
TWRIXENNPDTMSQ-UHFFFAOYSA-N
Compound name
4-(furan-2-carbonyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

223.09569 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 149.3
[M+Na]+ 246.08491 154.5
[M-H]- 222.08841 153.1
[M+NH4]+ 241.12951 164.1
[M+K]+ 262.05885 154.1
[M+H-H2O]+ 206.09295 141.0
[M+HCOO]- 268.09389 167.3
[M+CH3COO]- 282.10954 186.8
[M+Na-2H]- 244.07036 151.0
[M]+ 223.09514 145.2
[M]- 223.09624 145.2
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