CID 3076914

4-piperidinol, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(4-chlorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H23ClN4O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O)N)OC
InChI
InChI=1S/C21H23ClN4O3/c1-28-17-11-15-16(12-18(17)29-2)24-20(25-19(15)23)26-9-7-21(27,8-10-26)13-3-5-14(22)6-4-13/h3-6,11-12,27H,7-10H2,1-2H3,(H2,23,24,25)
InChIKey
AXUIYQUKPPDYTF-UHFFFAOYSA-N
Compound name
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(4-chlorophenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.14587 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15315 199.2
[M+Na]+ 437.13509 207.7
[M-H]- 413.13859 203.9
[M+NH4]+ 432.17969 208.0
[M+K]+ 453.10903 201.0
[M+H-H2O]+ 397.14313 187.7
[M+HCOO]- 459.14407 208.5
[M+CH3COO]- 473.15972 206.9
[M+Na-2H]- 435.12054 201.7
[M]+ 414.14532 199.7
[M]- 414.14642 199.7
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.