CID 135568426

Brn 4776920

Structural Information

Molecular Formula
C40H31N7O3
SMILES
CC1=CC=CC=C1N=N/C(=N/NC(=O)C2=CC=C(C=C2)N3C(=N/C(=C\C4=C(NC5=CC=CC=C54)C6=CC=CC=C6)/C3=O)C)/C7=CC=CC=C7O
InChI
InChI=1S/C40H31N7O3/c1-25-12-6-9-17-33(25)43-44-38(31-16-8-11-19-36(31)48)45-46-39(49)28-20-22-29(23-21-28)47-26(2)41-35(40(47)50)24-32-30-15-7-10-18-34(30)42-37(32)27-13-4-3-5-14-27/h3-24,42,48H,1-2H3,(H,46,49)/b35-24-,44-43?,45-38+
InChIKey
DDRCOTMHCXYHES-ORAZRFQNSA-N
Compound name
N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-4-[(4Z)-2-methyl-5-oxo-4-[(2-phenyl-1H-indol-3-yl)methylidene]imidazol-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

657.24884 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.25612 252.0
[M+Na]+ 680.23806 255.5
[M-H]- 656.24156 269.6
[M+NH4]+ 675.28266 250.4
[M+K]+ 696.21200 247.5
[M+H-H2O]+ 640.24610 237.2
[M+HCOO]- 702.24704 273.0
[M+CH3COO]- 716.26269 256.5
[M+Na-2H]- 678.22351 250.1
[M]+ 657.24829 252.3
[M]- 657.24939 252.3
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.