CID 13544734

98902-36-4

Structural Information

Molecular Formula
C19H23N5O4
SMILES
CN(CCCNC(=O)C1=CC=CO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C19H23N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h4,6,9-11H,5,7-8H2,1-3H3,(H,21,25)(H2,20,22,23)
InChIKey
CNKVWVXXVMNSQJ-UHFFFAOYSA-N
Compound name
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.17502 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18230 192.0
[M+Na]+ 408.16424 202.9
[M+NH4]+ 403.20884 196.7
[M+K]+ 424.13818 200.1
[M-H]- 384.16774 196.7
[M+Na-2H]- 406.14969 196.9
[M]+ 385.17447 194.6
[M]- 385.17557 194.6
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

patents stripe