CID 135568441

Brn 3640258

Structural Information

Molecular Formula
C28H21N7O4
SMILES
C1=CC=C(C(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2/N=C(/C4=CC=CO4)\N=NC5=CC=C(C=C5)C(=O)NN)O
InChI
InChI=1S/C28H21N7O4/c29-31-27(37)19-11-14-20(15-12-19)32-33-26(24-10-5-17-39-24)34-35-25(16-13-18-6-1-4-9-23(18)36)30-22-8-3-2-7-21(22)28(35)38/h1-17,36H,29H2,(H,31,37)/b16-13+,33-32?,34-26-
InChIKey
LRKYUEKMFQUZOI-FRHUHLEISA-N
Compound name
N-[4-(hydrazinecarbonyl)phenyl]imino-N'-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]furan-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.1655 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.17278 222.4
[M+Na]+ 542.15472 228.3
[M-H]- 518.15822 237.1
[M+NH4]+ 537.19932 225.5
[M+K]+ 558.12866 223.8
[M+H-H2O]+ 502.16276 208.8
[M+HCOO]- 564.16370 249.0
[M+CH3COO]- 578.17935 230.2
[M+Na-2H]- 540.14017 227.7
[M]+ 519.16495 225.1
[M]- 519.16605 225.1
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.