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]+ 386.182296 191.7
[M+Na]+ 408.164238 198.8
[M-H]- 384.167744 199.2
[M+NH4]+ 403.208843 201.7
[M+K]+ 424.138178 197.4
[M+H-H2O]+ 368.172280 181.3
[M+HCOO]- 430.173221 215.6
[M+CH3COO]- 444.188871 230.3
[M+Na-2H]- 406.149686 195.4
[M]+ 385.17447142 199.1
[M]- 385.17556858 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