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]+ 452.229226 210.8
[M+Na]+ 474.211168 215.9
[M-H]- 450.214674 219.8
[M+NH4]+ 469.255773 215.7
[M+K]+ 490.185108 213.9
[M+H-H2O]+ 434.219210 198.4
[M+HCOO]- 496.220151 223.7
[M+CH3COO]- 510.235801 217.9
[M+Na-2H]- 472.196616 210.8
[M]+ 451.22140142 212.6
[M]- 451.22249858 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.