CID 644989

Gnf-pf-2034

Structural Information

Molecular Formula
C19H20N4O2
SMILES
C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)O
InChI
InChI=1S/C19H20N4O2/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H2,20,21,22,23)
InChIKey
PEQMTEMWXRAERG-UHFFFAOYSA-N
Compound name
3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

336.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 180.4
[M+Na]+ 359.14785 193.4
[M+NH4]+ 354.19245 187.9
[M+K]+ 375.12179 187.8
[M-H]- 335.15135 187.8
[M+Na-2H]- 357.13330 188.2
[M]+ 336.15808 184.2
[M]- 336.15918 184.2
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

No patent data available for this compound.