CID 3077542

Brn 4772035

Structural Information

Molecular Formula
C26H22N4O4
SMILES
CN(C)CC1=C(C=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)O
InChI
InChI=1S/C26H22N4O4/c1-28(2)14-16-13-17(11-12-22(16)31)30-23(27-21-10-6-5-9-20(21)26(30)34)15-29-24(32)18-7-3-4-8-19(18)25(29)33/h3-13,31H,14-15H2,1-2H3
InChIKey
BNQDOOZXJRLLCZ-UHFFFAOYSA-N
Compound name
2-[[3-[3-[(dimethylamino)methyl]-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

454.1641 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17138 211.7
[M+Na]+ 477.15332 221.1
[M-H]- 453.15682 220.4
[M+NH4]+ 472.19792 219.4
[M+K]+ 493.12726 214.5
[M+H-H2O]+ 437.16136 199.8
[M+HCOO]- 499.16230 228.5
[M+CH3COO]- 513.17795 220.2
[M+Na-2H]- 475.13877 211.6
[M]+ 454.16355 215.6
[M]- 454.16465 215.6
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.