CID 3146500

378760-44-2

Structural Information

Molecular Formula
C22H23N3O7
SMILES
C1COCCN1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H23N3O7/c26-20(17-3-1-12-32-17)18-19(15-4-6-16(7-5-15)25(29)30)24(22(28)21(18)27)9-2-8-23-10-13-31-14-11-23/h1,3-7,12,19,27H,2,8-11,13-14H2
InChIKey
VMNHGYBYMCLAMO-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1536 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.16088 202.7
[M+Na]+ 464.14282 204.6
[M-H]- 440.14632 212.8
[M+NH4]+ 459.18742 207.1
[M+K]+ 480.11676 199.0
[M+H-H2O]+ 424.15086 197.7
[M+HCOO]- 486.15180 217.6
[M+CH3COO]- 500.16745 220.1
[M+Na-2H]- 462.12827 201.3
[M]+ 441.15305 200.8
[M]- 441.15415 200.8
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.