CID 60390

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

Structural Information

Molecular Formula
C25H21Br2N3O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CN(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21Br2N3O3/c1-17-28-24-21(14-18(26)15-22(24)27)25(32)29(17)12-13-33-23(31)16-30(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-15H,12-13,16H2,1H3
InChIKey
KPQDTRDYPWFYNE-UHFFFAOYSA-N
Compound name
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(N-phenylanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.995 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.00228 201.3
[M+Na]+ 591.98422 208.4
[M-H]- 567.98772 211.3
[M+NH4]+ 587.02882 209.6
[M+K]+ 607.95816 194.2
[M+H-H2O]+ 551.99226 205.3
[M+HCOO]- 613.99320 213.7
[M+CH3COO]- 628.00885 210.5
[M+Na-2H]- 589.96967 204.6
[M]+ 568.99445 237.7
[M]- 568.99555 237.7
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.