CID 136106218

Brn 3639970

Structural Information

Molecular Formula
C30H23N7O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CC=C3)\N=NC4=CC=C(C=C4)C(=O)N/N=C/C5=CC=CC=C5O
InChI
InChI=1S/C30H23N7O3/c1-20-32-26-13-7-6-12-25(26)30(40)37(20)36-28(21-9-3-2-4-10-21)34-33-24-17-15-22(16-18-24)29(39)35-31-19-23-11-5-8-14-27(23)38/h2-19,38H,1H3,(H,35,39)/b31-19+,34-33?,36-28-
InChIKey
JJHNKZOWGSHELQ-AFMUWKMMSA-N
Compound name
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[[(Z)-N-(2-methyl-4-oxoquinazolin-3-yl)-C-phenylcarbonimidoyl]diazenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.1862 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.19348 226.8
[M+Na]+ 552.17542 241.5
[M+NH4]+ 547.22002 231.5
[M+K]+ 568.14936 232.2
[M-H]- 528.17892 237.3
[M+Na-2H]- 550.16087 239.1
[M]+ 529.18565 231.6
[M]- 529.18675 231.6
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.