CID 136106206

Brn 4775071

Structural Information

Molecular Formula
C33H24ClN7O2
SMILES
CC1=N/C(=C/C2=CNC3=CC=CC=C32)/C(=O)N1C4=CC=C(C=C4)C(=O)N/N=C(/C5=CC=CC=C5)\N=NC6=CC=C(C=C6)Cl
InChI
InChI=1S/C33H24ClN7O2/c1-21-36-30(19-24-20-35-29-10-6-5-9-28(24)29)33(43)41(21)27-17-11-23(12-18-27)32(42)40-39-31(22-7-3-2-4-8-22)38-37-26-15-13-25(34)14-16-26/h2-20,35H,1H3,(H,40,42)/b30-19+,38-37?,39-31-
InChIKey
KSMVJLOIPCBQTN-SZIQYDPBSA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-4-[(4E)-4-(1H-indol-3-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.168 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.17528 239.6
[M+Na]+ 608.15722 245.6
[M-H]- 584.16072 255.4
[M+NH4]+ 603.20182 243.0
[M+K]+ 624.13116 236.9
[M+H-H2O]+ 568.16526 225.5
[M+HCOO]- 630.16620 259.3
[M+CH3COO]- 644.18185 246.0
[M+Na-2H]- 606.14267 239.1
[M]+ 585.16745 242.9
[M]- 585.16855 242.9
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.