CID 3068405

Brn 4607073

Structural Information

Molecular Formula
C24H27N3O6
SMILES
CC(C(=O)N1CCOCC1)N2C(=NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H27N3O6/c1-15(23(28)26-9-11-33-12-10-26)27-22(25-18-8-6-5-7-17(18)24(27)29)16-13-19(30-2)21(32-4)20(14-16)31-3/h5-8,13-15H,9-12H2,1-4H3
InChIKey
IRNOMFNPRRWSGR-UHFFFAOYSA-N
Compound name
3-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.18997 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.19725 210.1
[M+Na]+ 476.17919 216.0
[M-H]- 452.18269 216.8
[M+NH4]+ 471.22379 213.5
[M+K]+ 492.15313 213.8
[M+H-H2O]+ 436.18723 197.0
[M+HCOO]- 498.18817 221.6
[M+CH3COO]- 512.20382 234.8
[M+Na-2H]- 474.16464 209.5
[M]+ 453.18942 214.1
[M]- 453.19052 214.1
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

No patent data available for this compound.