CID 2853782

301359-40-0

Structural Information

Molecular Formula
C27H24N4O3
SMILES
CC1=CC=CC=C1N=NC2=C(C=C(C=C2)NC(C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4)C
InChI
InChI=1S/C27H24N4O3/c1-18-9-6-7-12-22(18)30-31-23-15-14-21(17-19(23)2)28-26(25(32)20-10-4-3-5-11-20)29-27(33)24-13-8-16-34-24/h3-17,26,28H,1-2H3,(H,29,33)
InChIKey
XBXGFBORTDPYAL-UHFFFAOYSA-N
Compound name
N-[1-[3-methyl-4-[(2-methylphenyl)diazenyl]anilino]-2-oxo-2-phenylethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.18484 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19212 211.9
[M+Na]+ 475.17406 214.7
[M-H]- 451.17756 227.5
[M+NH4]+ 470.21866 219.6
[M+K]+ 491.14800 212.1
[M+H-H2O]+ 435.18210 200.0
[M+HCOO]- 497.18304 239.0
[M+CH3COO]- 511.19869 246.3
[M+Na-2H]- 473.15951 213.2
[M]+ 452.18429 213.7
[M]- 452.18539 213.7
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.