CID 135568424

Brn 4776525

Structural Information

Molecular Formula
C39H28ClN7O2
SMILES
CC1=N/C(=C\C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)/C(=O)N1C5=CC=C(C=C5)C(=O)N/N=C(/C6=CC=CC=C6)\N=NC7=CC=C(C=C7)Cl
InChI
InChI=1S/C39H28ClN7O2/c1-25-41-35(24-33-32-14-8-9-15-34(32)42-36(33)26-10-4-2-5-11-26)39(49)47(25)31-22-16-28(17-23-31)38(48)46-45-37(27-12-6-3-7-13-27)44-43-30-20-18-29(40)19-21-30/h2-24,42H,1H3,(H,46,48)/b35-24-,44-43?,45-37-
InChIKey
HTWLMMSKJZQMPM-GGINUAHWSA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-4-[(4Z)-2-methyl-5-oxo-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

661.1993 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.20658 255.7
[M+Na]+ 684.18852 260.5
[M-H]- 660.19202 273.6
[M+NH4]+ 679.23312 255.3
[M+K]+ 700.16246 251.2
[M+H-H2O]+ 644.19656 240.2
[M+HCOO]- 706.19750 273.8
[M+CH3COO]- 720.21315 260.4
[M+Na-2H]- 682.17397 253.9
[M]+ 661.19875 258.4
[M]- 661.19985 258.4
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.