CID 5466735

Nsc641999

Structural Information

Molecular Formula
C19H14N2O7
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O
InChI
InChI=1S/C19H14N2O7/c1-10-2-3-12(21(26)27)8-15(10)20-19(25)16(23)6-11-7-18(24)28-17-9-13(22)4-5-14(11)17/h2-5,7-9,22H,6H2,1H3,(H,20,25)
InChIKey
ZJCNOBLJMMWFRC-UHFFFAOYSA-N
Compound name
3-(7-hydroxy-2-oxochromen-4-yl)-N-(2-methyl-5-nitrophenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.0801 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08738 184.1
[M+Na]+ 405.06932 190.0
[M-H]- 381.07282 191.5
[M+NH4]+ 400.11392 192.9
[M+K]+ 421.04326 184.1
[M+H-H2O]+ 365.07736 179.4
[M+HCOO]- 427.07830 205.0
[M+CH3COO]- 441.09395 214.3
[M+Na-2H]- 403.05477 189.6
[M]+ 382.07955 185.8
[M]- 382.08065 185.8
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.