CID 135568435

Brn 4777012

Structural Information

Molecular Formula
C45H33N7O2
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)C7=CC=CC=C7)/C8=CC=CC=C8
InChI
InChI=1S/C45H33N7O2/c1-30-15-11-13-23-38(30)48-49-42(32-18-7-3-8-19-32)50-51-44(53)34-25-27-35(28-26-34)52-43(33-20-9-4-10-21-33)47-40(45(52)54)29-37-36-22-12-14-24-39(36)46-41(37)31-16-5-2-6-17-31/h2-29,46H,1H3,(H,51,53)/b40-29-,49-48?,50-42-
InChIKey
UPLIROFQYVTOPZ-MQSCFGRESA-N
Compound name
N-[(Z)-[[(2-methylphenyl)diazenyl]-phenylmethylidene]amino]-4-[(4Z)-5-oxo-2-phenyl-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

703.2696 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.27688 258.1
[M+Na]+ 726.25882 260.0
[M-H]- 702.26232 277.8
[M+NH4]+ 721.30342 254.2
[M+K]+ 742.23276 251.0
[M+H-H2O]+ 686.26686 241.4
[M+HCOO]- 748.26780 278.8
[M+CH3COO]- 762.28345 261.5
[M+Na-2H]- 724.24427 256.6
[M]+ 703.26905 256.7
[M]- 703.27015 256.7
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.