CID 1474853

179248-59-0

Structural Information

Molecular Formula
C22H19N3O3
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)OC
InChI
InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
InChIKey
DMWVGXGXHPOEPT-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

233
Patents

373.14264 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14992 189.3
[M+Na]+ 396.13186 197.1
[M-H]- 372.13536 197.2
[M+NH4]+ 391.17646 198.6
[M+K]+ 412.10580 191.5
[M+H-H2O]+ 356.13990 176.8
[M+HCOO]- 418.14084 210.3
[M+CH3COO]- 432.15649 199.0
[M+Na-2H]- 394.11731 196.3
[M]+ 373.14209 192.7
[M]- 373.14319 192.7
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