CID 3049510

Sld-182

Structural Information

Molecular Formula
C21H25N5O4
SMILES
CN(C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C(=O)C4=CC=CO4
InChI
InChI=1S/C21H25N5O4/c1-25(20(27)16-5-4-10-30-16)13-6-8-26(9-7-13)21-23-15-12-18(29-3)17(28-2)11-14(15)19(22)24-21/h4-5,10-13H,6-9H2,1-3H3,(H2,22,23,24)
InChIKey
MNJZCGJMBPRHBE-UHFFFAOYSA-N
Compound name
N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.19064 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.197916 198.3
[M+Na]+ 434.179858 204.5
[M-H]- 410.183364 206.9
[M+NH4]+ 429.224463 205.5
[M+K]+ 450.153798 202.4
[M+H-H2O]+ 394.187900 186.7
[M+HCOO]- 456.188841 215.9
[M+CH3COO]- 470.204491 207.1
[M+Na-2H]- 432.165306 198.9
[M]+ 411.19009142 201.1
[M]- 411.19118858 201.1
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.