CID 3049732

65189-51-7

Structural Information

Molecular Formula
C22H29N5O4
SMILES
CCN(CCCN(CC)C(=O)C1=CC=CO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C22H29N5O4/c1-5-26(21(28)17-9-7-12-31-17)10-8-11-27(6-2)22-24-16-14-19(30-4)18(29-3)13-15(16)20(23)25-22/h7,9,12-14H,5-6,8,10-11H2,1-4H3,(H2,23,24,25)
InChIKey
HXGSEMYTIVRPIW-UHFFFAOYSA-N
Compound name
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-ethylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.22195 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.22923 206.4
[M+Na]+ 450.21117 212.1
[M-H]- 426.21467 214.7
[M+NH4]+ 445.25577 215.1
[M+K]+ 466.18511 211.5
[M+H-H2O]+ 410.21921 195.2
[M+HCOO]- 472.22015 229.6
[M+CH3COO]- 486.23580 242.1
[M+Na-2H]- 448.19662 207.6
[M]+ 427.22140 215.8
[M]- 427.22250 215.8
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.