CID 44410762

Chembl206984

Structural Information

Molecular Formula
C19H24N6O5
SMILES
CC(C)NC(=O)N1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C19H24N6O5/c1-13(2)22-19(27)24-9-7-23(8-10-24)16-5-3-14(11-20-16)12-21-18(26)15-4-6-17(30-15)25(28)29/h3-6,11,13H,7-10,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKey
CQXWWLBYQGLJAO-UHFFFAOYSA-N
Compound name
4-[5-[[(5-nitrofuran-2-carbonyl)amino]methyl]-2-pyridinyl]-N-propan-2-ylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

416.18082 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.188096 195.0
[M+Na]+ 439.170038 195.5
[M-H]- 415.173544 201.1
[M+NH4]+ 434.214643 199.0
[M+K]+ 455.143978 189.8
[M+H-H2O]+ 399.178080 188.1
[M+HCOO]- 461.179021 211.6
[M+CH3COO]- 475.194671 222.1
[M+Na-2H]- 437.155486 197.1
[M]+ 416.18027142 190.7
[M]- 416.18136858 190.7
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

No patent data available for this compound.