CID 135499191

Nsc643011

Structural Information

Molecular Formula
C19H14N2O4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C19H14N2O4/c1-11-8-18(22)25-16-9-12(6-7-13(11)16)24-10-17-20-15-5-3-2-4-14(15)19(23)21-17/h2-9H,10H2,1H3,(H,20,21,23)
InChIKey
GEGWXPGUMGKWBS-UHFFFAOYSA-N
Compound name
2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10265 176.9
[M+Na]+ 357.08459 189.2
[M-H]- 333.08809 183.4
[M+NH4]+ 352.12919 187.9
[M+K]+ 373.05853 183.9
[M+H-H2O]+ 317.09263 166.3
[M+HCOO]- 379.09357 195.9
[M+CH3COO]- 393.10922 188.4
[M+Na-2H]- 355.07004 185.6
[M]+ 334.09482 182.2
[M]- 334.09592 182.2
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.