CID 24941258

N-[2-(4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl)ethyl]-3-furamide

Structural Information

Molecular Formula
C15H14F2N4O2
SMILES
C1=CC(=C2C(=C1F)C(=N[C@@H](N2)CCNC(=O)C3=COC=C3)N)F
InChI
InChI=1S/C15H14F2N4O2/c16-9-1-2-10(17)13-12(9)14(18)21-11(20-13)3-5-19-15(22)8-4-6-23-7-8/h1-2,4,6-7,11,20H,3,5H2,(H2,18,21)(H,19,22)/t11-/m1/s1
InChIKey
BOAUWUUBSXECNL-LLVKDONJSA-N
Compound name
N-[2-[(2R)-4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl]ethyl]furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11578 171.4
[M+Na]+ 343.09772 179.5
[M-H]- 319.10122 173.2
[M+NH4]+ 338.14232 183.1
[M+K]+ 359.07166 174.5
[M+H-H2O]+ 303.10576 161.0
[M+HCOO]- 365.10670 188.4
[M+CH3COO]- 379.12235 181.0
[M+Na-2H]- 341.08317 173.4
[M]+ 320.10795 167.6
[M]- 320.10905 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.