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]+ 406.10338 191.9
[M+Na]+ 428.08532 197.3
[M-H]- 404.08882 202.9
[M+NH4]+ 423.12992 199.4
[M+K]+ 444.05926 189.9
[M+H-H2O]+ 388.09336 186.7
[M+HCOO]- 450.09430 212.2
[M+CH3COO]- 464.10995 213.3
[M+Na-2H]- 426.07077 192.9
[M]+ 405.09555 191.9
[M]- 405.09665 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.