CID 3061448

1-piperazinecarboxamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-n-(4-ethoxyphenyl)-

Structural Information

Molecular Formula
C23H28N6O4
SMILES
CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC
InChI
InChI=1S/C23H28N6O4/c1-4-33-16-7-5-15(6-8-16)25-23(30)29-11-9-28(10-12-29)22-26-18-14-20(32-3)19(31-2)13-17(18)21(24)27-22/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,30)(H2,24,26,27)
InChIKey
MUWAGXFXCIKCLC-UHFFFAOYSA-N
Compound name
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

452.2172 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.22448 211.6
[M+Na]+ 475.20642 216.5
[M-H]- 451.20992 215.9
[M+NH4]+ 470.25102 214.5
[M+K]+ 491.18036 211.5
[M+H-H2O]+ 435.21446 198.0
[M+HCOO]- 497.21540 225.0
[M+CH3COO]- 511.23105 238.9
[M+Na-2H]- 473.19187 212.9
[M]+ 452.21665 211.5
[M]- 452.21775 211.5
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