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 226.0
[M+Na]+ 552.17542 230.6
[M-H]- 528.17892 240.0
[M+NH4]+ 547.22002 228.6
[M+K]+ 568.14936 224.9
[M+H-H2O]+ 512.18346 210.4
[M+HCOO]- 574.18440 252.2
[M+CH3COO]- 588.20005 232.9
[M+Na-2H]- 550.16087 233.2
[M]+ 529.18565 227.5
[M]- 529.18675 227.5
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.