CID 121499159

2002381-31-7

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: 86
Patents: 387.1583 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	388.165576	194.9
[M+Na]+	410.147518	203.1
[M-H]-	386.151024	203.0
[M+NH4]+	405.192123	203.9
[M+K]+	426.121458	197.4
[M+H-H2O]+	370.155560	182.4
[M+HCOO]-	432.156501	215.5
[M+CH3COO]-	446.172151	204.4
[M+Na-2H]-	408.132966	200.5
[M]+	387.15775142	199.0
[M]-	387.15884858	199.0

Literature stripe

literature stripe

Patent stripe

patents stripe