CID 370242

Nsc643012

Structural Information

Molecular Formula
C25H18N2O4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5
InChI
InChI=1S/C25H18N2O4/c1-16-13-24(28)31-22-14-18(11-12-19(16)22)30-15-23-26-21-10-6-5-9-20(21)25(29)27(23)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKey
ACHBDNDMAZNYLJ-UHFFFAOYSA-N
Compound name
2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.12665 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.13393 201.4
[M+Na]+ 433.11587 213.1
[M-H]- 409.11937 211.7
[M+NH4]+ 428.16047 209.2
[M+K]+ 449.08981 207.2
[M+H-H2O]+ 393.12391 188.0
[M+HCOO]- 455.12485 220.4
[M+CH3COO]- 469.14050 211.5
[M+Na-2H]- 431.10132 208.2
[M]+ 410.12610 207.4
[M]- 410.12720 207.4
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.