CID 3078633

2-(4-(2,6-dimethylacetanilide)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline hydrochloride

Structural Information

Molecular Formula
C24H30N6O3
SMILES
CC1=C(C(=CC=C1)C)C2CN(CCN2CC(=O)N)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC
InChI
InChI=1S/C24H30N6O3/c1-14-6-5-7-15(2)22(14)18-12-30(9-8-29(18)13-21(25)31)24-27-17-11-20(33-4)19(32-3)10-16(17)23(26)28-24/h5-7,10-11,18H,8-9,12-13H2,1-4H3,(H2,25,31)(H2,26,27,28)
InChIKey
CRHFRQBAMDATON-UHFFFAOYSA-N
Compound name
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-(2,6-dimethylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.23795 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.24523 214.0
[M+Na]+ 473.22717 227.0
[M+NH4]+ 468.27177 218.3
[M+K]+ 489.20111 220.8
[M-H]- 449.23067 218.7
[M+Na-2H]- 471.21262 218.7
[M]+ 450.23740 217.0
[M]- 450.23850 217.0
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

No patent data available for this compound.