CID 3068403

Brn 4600981

Structural Information

Molecular Formula
C23H25N3O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2CC(=O)N4CCOCC4
InChI
InChI=1S/C23H25N3O6/c1-29-18-12-15(13-19(30-2)21(18)31-3)22-24-17-7-5-4-6-16(17)23(28)26(22)14-20(27)25-8-10-32-11-9-25/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey
FXPRMIFOGNISQN-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.17435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.18163 206.6
[M+Na]+ 462.16357 213.3
[M-H]- 438.16707 213.4
[M+NH4]+ 457.20817 210.6
[M+K]+ 478.13751 210.6
[M+H-H2O]+ 422.17161 193.4
[M+HCOO]- 484.17255 219.4
[M+CH3COO]- 498.18820 230.9
[M+Na-2H]- 460.14902 207.4
[M]+ 439.17380 210.8
[M]- 439.17490 210.8
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.