CID 121499159

Aps-2-79

Structural Information

Molecular Formula
C23H21N3O3
SMILES
CC1=C(C=CC(=C1)OC2=CC=CC=C2)NC3=NC=NC4=CC(=C(C=C43)OC)OC
InChI
InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
InChIKey
PEKZLFZZBGBOPJ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

94
Patents

387.1583 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16558 194.9
[M+Na]+ 410.14752 203.1
[M-H]- 386.15102 203.0
[M+NH4]+ 405.19212 203.9
[M+K]+ 426.12146 197.4
[M+H-H2O]+ 370.15556 182.4
[M+HCOO]- 432.15650 215.5
[M+CH3COO]- 446.17215 204.4
[M+Na-2H]- 408.13297 200.5
[M]+ 387.15775 199.0
[M]- 387.15885 199.0
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