CID 3077534

Brn 4775366

Structural Information

Molecular Formula
C28H22Br2N4O5
SMILES
C1COCCN1CC2=C(C=CC(=C2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)CN5C(=O)C6=CC=CC=C6C5=O)O
InChI
InChI=1S/C28H22Br2N4O5/c29-17-12-21-25(22(30)13-17)31-24(15-33-26(36)19-3-1-2-4-20(19)27(33)37)34(28(21)38)18-5-6-23(35)16(11-18)14-32-7-9-39-10-8-32/h1-6,11-13,35H,7-10,14-15H2
InChIKey
ZNEPWRMTOFSXEN-UHFFFAOYSA-N
Compound name
2-[[6,8-dibromo-3-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

651.99567 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.00295 219.8
[M+Na]+ 674.98489 227.1
[M-H]- 650.98839 229.8
[M+NH4]+ 670.02949 223.7
[M+K]+ 690.95883 214.7
[M+H-H2O]+ 634.99293 224.5
[M+HCOO]- 696.99387 224.3
[M+CH3COO]- 711.00952 226.7
[M+Na-2H]- 672.97034 218.0
[M]+ 651.99512 252.8
[M]- 651.99622 252.8
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.