CID 3061442

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

Structural Information

Molecular Formula
C21H30N6O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)NC4CCCCC4)N)OC
InChI
InChI=1S/C21H30N6O3/c1-29-17-12-15-16(13-18(17)30-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(28)23-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,23,28)(H2,22,24,25)
InChIKey
HPAWVCODFOHKAT-UHFFFAOYSA-N
Compound name
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-cyclohexylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.23795 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.24523 202.1
[M+Na]+ 437.22717 204.5
[M-H]- 413.23067 205.2
[M+NH4]+ 432.27177 206.3
[M+K]+ 453.20111 199.6
[M+H-H2O]+ 397.23521 188.9
[M+HCOO]- 459.23615 212.0
[M+CH3COO]- 473.25180 207.1
[M+Na-2H]- 435.21262 202.0
[M]+ 414.23740 195.6
[M]- 414.23850 195.6
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