CID 3068415

Brn 4626863

Structural Information

Molecular Formula
C34H40N4O5
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CC(C)C)N3C(=NC4=CC=CC=C4C3=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C34H40N4O5/c1-22(2)19-28(34(40)37-17-15-36(16-18-37)25-13-11-23(3)12-14-25)38-32(35-27-10-8-7-9-26(27)33(38)39)24-20-29(41-4)31(43-6)30(21-24)42-5/h7-14,20-22,28H,15-19H2,1-6H3
InChIKey
YRHYEFVFPDVUJB-UHFFFAOYSA-N
Compound name
3-[4-methyl-1-[4-(4-methylphenyl)piperazin-1-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

584.29987 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.30715 247.8
[M+Na]+ 607.28909 251.0
[M-H]- 583.29259 254.6
[M+NH4]+ 602.33369 245.1
[M+K]+ 623.26303 245.5
[M+H-H2O]+ 567.29713 231.8
[M+HCOO]- 629.29807 254.8
[M+CH3COO]- 643.31372 262.5
[M+Na-2H]- 605.27454 241.8
[M]+ 584.29932 250.4
[M]- 584.30042 250.4
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.