CID 3068398

Brn 4606862

Structural Information

Molecular Formula
C26H33N3O5
SMILES
CCN(CC)C(=O)C(C(C)C)N1C(=NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H33N3O5/c1-8-28(9-2)26(31)22(16(3)4)29-24(27-19-13-11-10-12-18(19)25(29)30)17-14-20(32-5)23(34-7)21(15-17)33-6/h10-16,22H,8-9H2,1-7H3
InChIKey
KXMUFTDWRATJDQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-methyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.24203 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.24931 215.3
[M+Na]+ 490.23125 221.1
[M-H]- 466.23475 221.4
[M+NH4]+ 485.27585 222.1
[M+K]+ 506.20519 219.2
[M+H-H2O]+ 450.23929 203.9
[M+HCOO]- 512.24023 232.0
[M+CH3COO]- 526.25588 246.9
[M+Na-2H]- 488.21670 212.8
[M]+ 467.24148 224.6
[M]- 467.24258 224.6
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.