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 240.4
[M+Na]+ 633.14142 243.5
[M-H]- 609.14492 252.7
[M+NH4]+ 628.18602 241.1
[M+K]+ 649.11536 240.4
[M+H-H2O]+ 593.14946 227.6
[M+HCOO]- 655.15040 257.1
[M+CH3COO]- 669.16605 270.2
[M+Na-2H]- 631.12687 245.0
[M]+ 610.15165 245.0
[M]- 610.15275 245.0
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.