CID 2910507

380567-65-7

Structural Information

Molecular Formula
C21H15N3O6
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CO4
InChI
InChI=1S/C21H15N3O6/c25-19(16-7-3-9-30-16)17-18(14-5-1-6-15(10-14)24(28)29)23(21(27)20(17)26)12-13-4-2-8-22-11-13/h1-11,18,26H,12H2
InChIKey
XACRYJVXBDMEFF-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

405.0961 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.103376 191.9
[M+Na]+ 428.085318 197.3
[M-H]- 404.088824 202.9
[M+NH4]+ 423.129923 199.4
[M+K]+ 444.059258 189.9
[M+H-H2O]+ 388.093360 186.7
[M+HCOO]- 450.094301 212.2
[M+CH3COO]- 464.109951 213.3
[M+Na-2H]- 426.070766 192.9
[M]+ 405.09555142 191.9
[M]- 405.09664858 191.9
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.