CID 135546057

28754-28-1

Structural Information

Molecular Formula
C21H19N3O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C21H19N3O3/c1-3-24(4-2)14-10-9-13-11-16(21(26)27-18(13)12-14)19-22-17-8-6-5-7-15(17)20(25)23-19/h5-12H,3-4H2,1-2H3,(H,22,23,25)
InChIKey
WFUSRMKEOWVDPU-UHFFFAOYSA-N
Compound name
2-[7-(diethylamino)-2-oxochromen-3-yl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

48
Patents

361.14264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.149916 187.0
[M+Na]+ 384.131858 197.7
[M-H]- 360.135364 194.3
[M+NH4]+ 379.176463 197.2
[M+K]+ 400.105798 192.6
[M+H-H2O]+ 344.139900 175.8
[M+HCOO]- 406.140841 206.6
[M+CH3COO]- 420.156491 197.7
[M+Na-2H]- 382.117306 194.4
[M]+ 361.14209142 192.1
[M]- 361.14318858 192.1
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

patents stripe