CID 135568414

Brn 4775540

Structural Information

Molecular Formula
C34H27N7O3
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)C)/C6=CC=CC=C6O
InChI
InChI=1S/C34H27N7O3/c1-21-9-3-6-12-28(21)37-38-32(27-11-5-8-14-31(27)42)39-40-33(43)23-15-17-25(18-16-23)41-22(2)36-30(34(41)44)19-24-20-35-29-13-7-4-10-26(24)29/h3-20,35,42H,1-2H3,(H,40,43)/b30-19+,38-37?,39-32+
InChIKey
YUMLIIQQYLQSJX-IFQAACIXSA-N
Compound name
N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]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

581.2175 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.22478 236.3
[M+Na]+ 604.20672 241.0
[M-H]- 580.21022 251.7
[M+NH4]+ 599.25132 238.4
[M+K]+ 620.18066 233.6
[M+H-H2O]+ 564.21476 222.8
[M+HCOO]- 626.21570 259.0
[M+CH3COO]- 640.23135 242.4
[M+Na-2H]- 602.19217 235.6
[M]+ 581.21695 237.2
[M]- 581.21805 237.2
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.