CID 3068404

Brn 4613934

Structural Information

Molecular Formula
C26H31N3O6
SMILES
CC(C)C(C(=O)N1CCOCC1)N2C(=NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C26H31N3O6/c1-16(2)22(26(31)28-10-12-35-13-11-28)29-24(27-19-9-7-6-8-18(19)25(29)30)17-14-20(32-3)23(34-5)21(15-17)33-4/h6-9,14-16,22H,10-13H2,1-5H3
InChIKey
QPNFEHYONWRAIA-UHFFFAOYSA-N
Compound name
3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.22128 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.22856 217.7
[M+Na]+ 504.21050 222.4
[M-H]- 480.21400 224.2
[M+NH4]+ 499.25510 219.8
[M+K]+ 520.18444 220.4
[M+H-H2O]+ 464.21854 204.6
[M+HCOO]- 526.21948 227.6
[M+CH3COO]- 540.23513 241.4
[M+Na-2H]- 502.19595 215.2
[M]+ 481.22073 221.9
[M]- 481.22183 221.9
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.