CID 3049507

Sld-172

Structural Information

Molecular Formula
C24H29N5O4
SMILES
CN(CC1=CC2=C(C=C1)OCO2)C3CCCN(C3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC
InChI
InChI=1S/C24H29N5O4/c1-28(12-15-6-7-19-22(9-15)33-14-32-19)16-5-4-8-29(13-16)24-26-18-11-21(31-3)20(30-2)10-17(18)23(25)27-24/h6-7,9-11,16H,4-5,8,12-14H2,1-3H3,(H2,25,26,27)
InChIKey
DKWHBFARZCEOFL-UHFFFAOYSA-N
Compound name
2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.22195 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.22923 210.8
[M+Na]+ 474.21117 215.9
[M-H]- 450.21467 219.8
[M+NH4]+ 469.25577 215.7
[M+K]+ 490.18511 213.9
[M+H-H2O]+ 434.21921 198.4
[M+HCOO]- 496.22015 223.7
[M+CH3COO]- 510.23580 217.9
[M+Na-2H]- 472.19662 210.8
[M]+ 451.22140 212.6
[M]- 451.22250 212.6
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.