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 222.1
[M+Na]+ 518.22616 226.3
[M-H]- 494.22966 228.3
[M+NH4]+ 513.27076 223.6
[M+K]+ 534.20010 224.2
[M+H-H2O]+ 478.23420 208.8
[M+HCOO]- 540.23514 231.6
[M+CH3COO]- 554.25079 244.2
[M+Na-2H]- 516.21161 219.1
[M]+ 495.23639 226.5
[M]- 495.23749 226.5
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.