CID 135854056

43035-18-3

Structural Information

Molecular Formula
C32H26N4O7S
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)OC)O
InChI
InChI=1S/C32H26N4O7S/c1-19-7-8-21(31(38)33-23-11-15-25(16-12-23)44(40,41)42)18-28(19)35-36-29-26-6-4-3-5-20(26)17-27(30(29)37)32(39)34-22-9-13-24(43-2)14-10-22/h3-18,37H,1-2H3,(H,33,38)(H,34,39)(H,40,41,42)
InChIKey
POCSTEHJDCZAPU-UHFFFAOYSA-N
Compound name
4-[[3-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methylbenzoyl]amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

610.1522 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.15948 240.3
[M+Na]+ 633.14142 252.2
[M+NH4]+ 628.18602 243.5
[M+K]+ 649.11536 244.4
[M-H]- 609.14492 248.3
[M+Na-2H]- 631.12687 250.1
[M]+ 610.15165 244.4
[M]- 610.15275 244.4
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.