CID 60392

Glycine, n-cyclohexyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4h)-quinazolinyl)ethyl ester

Structural Information

Molecular Formula
C19H23Br2N3O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CNC3CCCCC3
InChI
InChI=1S/C19H23Br2N3O3/c1-12-23-18-15(9-13(20)10-16(18)21)19(26)24(12)7-8-27-17(25)11-22-14-5-3-2-4-6-14/h9-10,14,22H,2-8,11H2,1H3
InChIKey
LGDRKYNOCCLWIH-UHFFFAOYSA-N
Compound name
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(cyclohexylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.01062 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.01790 184.1
[M+Na]+ 521.99984 191.0
[M-H]- 498.00334 190.5
[M+NH4]+ 517.04444 194.8
[M+K]+ 537.97378 175.5
[M+H-H2O]+ 482.00788 189.2
[M+HCOO]- 544.00882 193.9
[M+CH3COO]- 558.02447 234.1
[M+Na-2H]- 519.98529 186.7
[M]+ 499.01007 217.5
[M]- 499.01117 217.5
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

No patent data available for this compound.