CID 644989

797027-80-6

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 175.4
[M+Na]+ 359.14785 180.9
[M-H]- 335.15135 182.5
[M+NH4]+ 354.19245 185.9
[M+K]+ 375.12179 176.0
[M+H-H2O]+ 319.15589 165.0
[M+HCOO]- 381.15683 194.5
[M+CH3COO]- 395.17248 184.9
[M+Na-2H]- 357.13330 180.9
[M]+ 336.15808 172.9
[M]- 336.15918 172.9
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.