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 191.7
[M+Na]+ 408.16424 198.8
[M-H]- 384.16774 199.2
[M+NH4]+ 403.20884 201.7
[M+K]+ 424.13818 197.4
[M+H-H2O]+ 368.17228 181.3
[M+HCOO]- 430.17322 215.6
[M+CH3COO]- 444.18887 230.3
[M+Na-2H]- 406.14969 195.4
[M]+ 385.17447 199.1
[M]- 385.17557 199.1
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

patents stripe