CID 82975

Einecs 245-431-7

Structural Information

Molecular Formula
C19H18N4O5S
SMILES
CC(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C=CC(=C3)S(=O)(=O)NC)O
InChI
InChI=1S/C19H18N4O5S/c1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2/h3-10,20,25-26H,1-2H3,(H,21,24)
InChIKey
IUSNKBQUMJMAPR-UHFFFAOYSA-N
Compound name
N-[7-hydroxy-8-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]naphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

414.0998 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.10708 191.6
[M+Na]+ 437.08902 198.1
[M-H]- 413.09252 199.2
[M+NH4]+ 432.13362 201.9
[M+K]+ 453.06296 194.2
[M+H-H2O]+ 397.09706 182.6
[M+HCOO]- 459.09800 211.4
[M+CH3COO]- 473.11365 233.3
[M+Na-2H]- 435.07447 197.9
[M]+ 414.09925 195.4
[M]- 414.10035 195.4
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.