CID 3068406

Brn 4615103

Structural Information

Molecular Formula
C27H33N3O6
SMILES
CC(C)CC(C(=O)N1CCOCC1)N2C(=NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C27H33N3O6/c1-17(2)14-21(27(32)29-10-12-36-13-11-29)30-25(28-20-9-7-6-8-19(20)26(30)31)18-15-22(33-3)24(35-5)23(16-18)34-4/h6-9,15-17,21H,10-14H2,1-5H3
InChIKey
ISRLJZGKTLHBBM-UHFFFAOYSA-N
Compound name
3-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.23694 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.24422 219.7
[M+Na]+ 518.22616 232.9
[M+NH4]+ 513.27076 223.3
[M+K]+ 534.20010 227.8
[M-H]- 494.22966 224.1
[M+Na-2H]- 516.21161 223.8
[M]+ 495.23639 222.7
[M]- 495.23749 222.7
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.