CID 135853842

Brn 3640508

Structural Information

Molecular Formula
C28H21N7O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CO3)\N=NC4=CC=C(C=C4)C(=O)N/N=C/C5=CC=CC=C5O
InChI
InChI=1S/C28H21N7O4/c1-18-30-23-9-4-3-8-22(23)28(38)35(18)34-26(25-11-6-16-39-25)32-31-21-14-12-19(13-15-21)27(37)33-29-17-20-7-2-5-10-24(20)36/h2-17,36H,1H3,(H,33,37)/b29-17+,32-31?,34-26-
InChIKey
AMPBOZGREFJWBZ-UZNOSYTGSA-N
Compound name
4-[[(Z)-C-(furan-2-yl)-N-(2-methyl-4-oxoquinazolin-3-yl)carbonimidoyl]diazenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.1655 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.17278 223.4
[M+Na]+ 542.15472 229.7
[M-H]- 518.15822 239.7
[M+NH4]+ 537.19932 227.3
[M+K]+ 558.12866 226.0
[M+H-H2O]+ 502.16276 209.2
[M+HCOO]- 564.16370 252.0
[M+CH3COO]- 578.17935 232.0
[M+Na-2H]- 540.14017 229.7
[M]+ 519.16495 228.6
[M]- 519.16605 228.6
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.