CID 135568425

Brn 4777846

Structural Information

Molecular Formula
C42H35N7O4
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)C)/C7=CC(=C(C=C7)OC)OC
InChI
InChI=1S/C42H35N7O4/c1-26-12-8-10-16-34(26)45-46-40(30-20-23-37(52-3)38(24-30)53-4)47-48-41(50)29-18-21-31(22-19-29)49-27(2)43-36(42(49)51)25-33-32-15-9-11-17-35(32)44-39(33)28-13-6-5-7-14-28/h5-25,44H,1-4H3,(H,48,50)/b36-25-,46-45?,47-40+
InChIKey
REPOBTWVWNNBGW-XPDPYFJTSA-N
Compound name
N-[(E)-[(3,4-dimethoxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]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

701.275 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.28228 264.5
[M+Na]+ 724.26422 267.7
[M-H]- 700.26772 283.2
[M+NH4]+ 719.30882 261.7
[M+K]+ 740.23816 261.2
[M+H-H2O]+ 684.27226 248.9
[M+HCOO]- 746.27320 286.1
[M+CH3COO]- 760.28885 268.7
[M+Na-2H]- 722.24967 261.4
[M]+ 701.27445 268.3
[M]- 701.27555 268.3
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.