CID 135568430

Brn 4777127

Structural Information

Molecular Formula
C44H30ClN7O2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C\4/C(=O)N(C(=N4)C5=CC=CC=C5)C6=CC=C(C=C6)C(=O)N/N=C(/C7=CC=CC=C7)\N=NC8=CC=C(C=C8)Cl
InChI
InChI=1S/C44H30ClN7O2/c45-33-22-24-34(25-23-33)48-49-41(30-14-6-2-7-15-30)50-51-43(53)32-20-26-35(27-21-32)52-42(31-16-8-3-9-17-31)47-39(44(52)54)28-37-36-18-10-11-19-38(36)46-40(37)29-12-4-1-5-13-29/h1-28,46H,(H,51,53)/b39-28-,49-48?,50-41-
InChIKey
QMUTZMGJANECIS-ATXQTQMPSA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)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

723.21497 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 724.22225 263.1
[M+Na]+ 746.20419 266.4
[M-H]- 722.20769 282.6
[M+NH4]+ 741.24879 259.5
[M+K]+ 762.17813 256.8
[M+H-H2O]+ 706.21223 246.3
[M+HCOO]- 768.21317 279.9
[M+CH3COO]- 782.22882 266.4
[M+Na-2H]- 744.18964 261.4
[M]+ 723.21442 264.6
[M]- 723.21552 264.6
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.