CID 3077532

Brn 4774548

Structural Information

Molecular Formula
C28H24Br2N4O4
SMILES
CCN(CC)CC1=C(C=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CN4C(=O)C5=CC=CC=C5C4=O)O
InChI
InChI=1S/C28H24Br2N4O4/c1-3-32(4-2)14-16-11-18(9-10-23(16)35)34-24(31-25-21(28(34)38)12-17(29)13-22(25)30)15-33-26(36)19-7-5-6-8-20(19)27(33)37/h5-13,35H,3-4,14-15H2,1-2H3
InChIKey
HKAFICQFBNCPTH-UHFFFAOYSA-N
Compound name
2-[[6,8-dibromo-3-[3-(diethylaminomethyl)-4-hydroxyphenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.0164 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.02368 217.5
[M+Na]+ 661.00562 226.0
[M-H]- 637.00912 227.1
[M+NH4]+ 656.05022 224.7
[M+K]+ 676.97956 211.6
[M+H-H2O]+ 621.01366 221.7
[M+HCOO]- 683.01460 226.9
[M+CH3COO]- 697.03025 225.6
[M+Na-2H]- 658.99107 216.5
[M]+ 638.01585 254.2
[M]- 638.01695 254.2
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.