CID 174672

Component 3g-4m

Structural Information

Molecular Formula
C35H33N3O4
SMILES
CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4C(=C3)N=NC5=CC=C(C=C5)OC)O
InChI
InChI=1S/C35H33N3O4/c1-5-35(2,3)23-10-16-27(17-11-23)42-28-20-12-24(13-21-28)36-34(40)31-22-32(29-8-6-7-9-30(29)33(31)39)38-37-25-14-18-26(41-4)19-15-25/h6-22,39H,5H2,1-4H3,(H,36,40)
InChIKey
ZLFZSFPQCUTGBP-UHFFFAOYSA-N
Compound name
1-hydroxy-4-[(4-methoxyphenyl)diazenyl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.24713 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.25441 240.4
[M+Na]+ 582.23635 243.8
[M-H]- 558.23985 253.9
[M+NH4]+ 577.28095 244.0
[M+K]+ 598.21029 239.2
[M+H-H2O]+ 542.24439 226.2
[M+HCOO]- 604.24533 261.4
[M+CH3COO]- 618.26098 264.9
[M+Na-2H]- 580.22180 243.1
[M]+ 559.24658 244.0
[M]- 559.24768 244.0
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.