CID 135568433

Brn 4777575

Structural Information

Molecular Formula
C45H33N7O3
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=C8O
InChI
InChI=1S/C45H33N7O3/c1-29-14-8-11-21-37(29)48-49-42(35-20-10-13-23-40(35)53)50-51-44(54)32-24-26-33(27-25-32)52-43(31-17-6-3-7-18-31)47-39(45(52)55)28-36-34-19-9-12-22-38(34)46-41(36)30-15-4-2-5-16-30/h2-28,46,53H,1H3,(H,51,54)/b39-28-,49-48?,50-42+
InChIKey
FSUOLSAYYBNCMO-QAPPJAMFSA-N
Compound name
N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]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

719.26447 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.27175 259.1
[M+Na]+ 742.25369 260.9
[M-H]- 718.25719 278.3
[M+NH4]+ 737.29829 254.1
[M+K]+ 758.22763 252.7
[M+H-H2O]+ 702.26173 243.1
[M+HCOO]- 764.26267 278.6
[M+CH3COO]- 778.27832 262.1
[M+Na-2H]- 740.23914 257.4
[M]+ 719.26392 257.8
[M]- 719.26502 257.8
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.