CID 3049512

Sld-183

Structural Information

Molecular Formula
C22H27N5O4
SMILES
CN(CC1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C(=O)C4=CC=CO4
InChI
InChI=1S/C22H27N5O4/c1-26(21(28)17-5-4-10-31-17)13-14-6-8-27(9-7-14)22-24-16-12-19(30-3)18(29-2)11-15(16)20(23)25-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H2,23,24,25)
InChIKey
XHDBHUJBOVIFBV-UHFFFAOYSA-N
Compound name
N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-N-methylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2063 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21358 202.7
[M+Na]+ 448.19552 208.4
[M-H]- 424.19902 211.1
[M+NH4]+ 443.24012 209.3
[M+K]+ 464.16946 206.1
[M+H-H2O]+ 408.20356 190.9
[M+HCOO]- 470.20450 219.9
[M+CH3COO]- 484.22015 235.1
[M+Na-2H]- 446.18097 202.7
[M]+ 425.20575 205.7
[M]- 425.20685 205.7
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.