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]+ 337.165906 175.4
[M+Na]+ 359.147848 180.9
[M-H]- 335.151354 182.5
[M+NH4]+ 354.192453 185.9
[M+K]+ 375.121788 176.0
[M+H-H2O]+ 319.155890 165.0
[M+HCOO]- 381.156831 194.5
[M+CH3COO]- 395.172481 184.9
[M+Na-2H]- 357.133296 180.9
[M]+ 336.15808142 172.9
[M]- 336.15917858 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.