CID 135568431

Brn 4778174

Structural Information

Molecular Formula
C47H37N7O4
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(=C(C=C8)OC)OC
InChI
InChI=1S/C47H37N7O4/c1-30-14-10-12-20-38(30)50-51-44(34-24-27-41(57-2)42(28-34)58-3)52-53-46(55)33-22-25-35(26-23-33)54-45(32-17-8-5-9-18-32)49-40(47(54)56)29-37-36-19-11-13-21-39(36)48-43(37)31-15-6-4-7-16-31/h4-29,48H,1-3H3,(H,53,55)/b40-29-,51-50?,52-44+
InChIKey
TUMKSPOWMINYSF-BUQVMMCDSA-N
Compound name
N-[(E)-[(3,4-dimethoxyphenyl)-[(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

763.2907 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.29798 271.6
[M+Na]+ 786.27992 273.1
[M-H]- 762.28342 291.8
[M+NH4]+ 781.32452 265.4
[M+K]+ 802.25386 266.3
[M+H-H2O]+ 746.28796 254.7
[M+HCOO]- 808.28890 291.6
[M+CH3COO]- 822.30455 274.3
[M+Na-2H]- 784.26537 268.6
[M]+ 763.29015 273.7
[M]- 763.29125 273.7
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.