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]pyridin-2-yl]-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]+ 417.18810 195.0
[M+Na]+ 439.17004 195.5
[M-H]- 415.17354 201.1
[M+NH4]+ 434.21464 199.0
[M+K]+ 455.14398 189.8
[M+H-H2O]+ 399.17808 188.1
[M+HCOO]- 461.17902 211.6
[M+CH3COO]- 475.19467 222.1
[M+Na-2H]- 437.15549 197.1
[M]+ 416.18027 190.7
[M]- 416.18137 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.