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]+ 412.19792 198.3
[M+Na]+ 434.17986 204.5
[M-H]- 410.18336 206.9
[M+NH4]+ 429.22446 205.5
[M+K]+ 450.15380 202.4
[M+H-H2O]+ 394.18790 186.7
[M+HCOO]- 456.18884 215.9
[M+CH3COO]- 470.20449 207.1
[M+Na-2H]- 432.16531 198.9
[M]+ 411.19009 201.1
[M]- 411.19119 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.