CID 370239

Nsc643009

Structural Information

Molecular Formula
C19H13NO5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C19H13NO5/c1-11-8-18(21)24-16-9-12(6-7-13(11)16)23-10-17-20-15-5-3-2-4-14(15)19(22)25-17/h2-9H,10H2,1H3
InChIKey
VXHGKQQUWPVHNV-UHFFFAOYSA-N
Compound name
2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.07938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08666 175.4
[M+Na]+ 358.06860 188.3
[M-H]- 334.07210 185.4
[M+NH4]+ 353.11320 187.2
[M+K]+ 374.04254 186.0
[M+H-H2O]+ 318.07664 165.2
[M+HCOO]- 380.07758 196.6
[M+CH3COO]- 394.09323 188.4
[M+Na-2H]- 356.05405 185.0
[M]+ 335.07883 184.1
[M]- 335.07993 184.1
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.