CID 1474874

477855-21-3

Structural Information

Molecular Formula
C20H22N4O3
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)N4CCOCC4)OC
InChI
InChI=1S/C20H22N4O3/c1-25-18-11-16-17(12-19(18)26-2)21-13-22-20(16)23-14-3-5-15(6-4-14)24-7-9-27-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,21,22,23)
InChIKey
VBURJZVOZSPSQH-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

366.1692 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 188.8
[M+Na]+ 389.15842 194.8
[M-H]- 365.16192 195.2
[M+NH4]+ 384.20302 195.5
[M+K]+ 405.13236 190.7
[M+H-H2O]+ 349.16646 175.8
[M+HCOO]- 411.16740 204.0
[M+CH3COO]- 425.18305 197.1
[M+Na-2H]- 387.14387 194.1
[M]+ 366.16865 188.5
[M]- 366.16975 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe