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 217.2
[M+Na]+ 473.22717 223.7
[M-H]- 449.23067 221.6
[M+NH4]+ 468.27177 220.5
[M+K]+ 489.20111 217.4
[M+H-H2O]+ 433.23521 204.2
[M+HCOO]- 495.23615 229.4
[M+CH3COO]- 509.25180 243.1
[M+Na-2H]- 471.21262 215.1
[M]+ 450.23740 216.2
[M]- 450.23850 216.2
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.