CID 44968231

Ml167

Structural Information

Molecular Formula
C19H17N3O3
SMILES
CC1=CC=C(O1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CO
InChI
InChI=1S/C19H17N3O3/c1-12-2-4-14(24-12)9-20-19-16-8-13(3-6-17(16)21-11-22-19)18-7-5-15(10-23)25-18/h2-8,11,23H,9-10H2,1H3,(H,20,21,22)
InChIKey
ROCFOIBAEVAOLQ-UHFFFAOYSA-N
Compound name
[5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

335.12698 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13426 177.7
[M+Na]+ 358.11620 193.0
[M+NH4]+ 353.16080 184.9
[M+K]+ 374.09014 190.0
[M-H]- 334.11970 185.5
[M+Na-2H]- 356.10165 185.4
[M]+ 335.12643 182.2
[M]- 335.12753 182.2
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

patents stripe