CID 136106213

134248-60-5

Structural Information

Molecular Formula
C41H33N7O4
SMILES
CC1=CC=CC=C1N=N/C(=N/NC(=O)C2=CC=C(C=C2)N3C(=N/C(=C/C4=CNC5=CC=CC=C54)/C3=O)C6=CC=CC=C6)/C7=CC(=C(C=C7)OC)OC
InChI
InChI=1S/C41H33N7O4/c1-26-11-7-9-15-33(26)44-45-38(29-19-22-36(51-2)37(24-29)52-3)46-47-40(49)28-17-20-31(21-18-28)48-39(27-12-5-4-6-13-27)43-35(41(48)50)23-30-25-42-34-16-10-8-14-32(30)34/h4-25,42H,1-3H3,(H,47,49)/b35-23+,45-44?,46-38+
InChIKey
NRZAWERCCJMXOL-CTPDYSCHSA-N
Compound name
N-[(E)-[(3,4-dimethoxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-4-[(4E)-4-(1H-indol-3-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

687.2594 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 688.26668 258.5
[M+Na]+ 710.24862 261.4
[M-H]- 686.25212 277.0
[M+NH4]+ 705.29322 256.0
[M+K]+ 726.22256 254.8
[M+H-H2O]+ 670.25666 242.9
[M+HCOO]- 732.25760 280.4
[M+CH3COO]- 746.27325 262.8
[M+Na-2H]- 708.23407 256.6
[M]+ 687.25885 261.6
[M]- 687.25995 261.6
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.