CID 370243

Nsc643013

Structural Information

Molecular Formula
C21H16N2O5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC4=CC=CC=C4C(=O)N3C(=O)C
InChI
InChI=1S/C21H16N2O5/c1-12-9-20(25)28-18-10-14(7-8-15(12)18)27-11-19-22-17-6-4-3-5-16(17)21(26)23(19)13(2)24/h3-10H,11H2,1-2H3
InChIKey
WFOIBCDDOGERBC-UHFFFAOYSA-N
Compound name
3-acetyl-2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.10593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.11321 188.3
[M+Na]+ 399.09515 200.6
[M-H]- 375.09865 196.2
[M+NH4]+ 394.13975 198.3
[M+K]+ 415.06909 196.6
[M+H-H2O]+ 359.10319 177.1
[M+HCOO]- 421.10413 207.3
[M+CH3COO]- 435.11978 199.6
[M+Na-2H]- 397.08060 194.5
[M]+ 376.10538 196.4
[M]- 376.10648 196.4
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.