CID 60395

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

Structural Information

Molecular Formula
C19H17Br2N3O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CNC3=CC=CC=C3
InChI
InChI=1S/C19H17Br2N3O3/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/h2-6,9-10,22H,7-8,11H2,1H3
InChIKey
MOPMVAJJRVXFKE-UHFFFAOYSA-N
Compound name
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-anilinoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.96368 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.97096 180.0
[M+Na]+ 515.95290 189.0
[M-H]- 491.95640 187.3
[M+NH4]+ 510.99750 191.0
[M+K]+ 531.92684 173.4
[M+H-H2O]+ 475.96094 185.0
[M+HCOO]- 537.96188 193.0
[M+CH3COO]- 551.97753 233.2
[M+Na-2H]- 513.93835 185.0
[M]+ 492.96313 216.5
[M]- 492.96423 216.5
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.