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
2
Annotation Hits

0
References

54
Patents

361.14264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14992 187.0
[M+Na]+ 384.13186 197.7
[M-H]- 360.13536 194.3
[M+NH4]+ 379.17646 197.2
[M+K]+ 400.10580 192.6
[M+H-H2O]+ 344.13990 175.8
[M+HCOO]- 406.14084 206.6
[M+CH3COO]- 420.15649 197.7
[M+Na-2H]- 382.11731 194.4
[M]+ 361.14209 192.1
[M]- 361.14319 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