CID 172533

83562-94-1

Structural Information

Molecular Formula
C19H17N3O5S
SMILES
CC(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C=CC(=C3)S(=O)(=O)C)O
InChI
InChI=1S/C19H17N3O5S/c1-11(23)20-14-5-3-4-12-6-8-17(25)19(18(12)14)22-21-15-10-13(28(2,26)27)7-9-16(15)24/h3-10,24-25H,1-2H3,(H,20,23)
InChIKey
WMHPUCYMXUMQIB-UHFFFAOYSA-N
Compound name
N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

399.0889 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.09618 189.3
[M+Na]+ 422.07812 196.8
[M-H]- 398.08162 197.2
[M+NH4]+ 417.12272 200.7
[M+K]+ 438.05206 192.7
[M+H-H2O]+ 382.08616 180.7
[M+HCOO]- 444.08710 208.2
[M+CH3COO]- 458.10275 227.8
[M+Na-2H]- 420.06357 194.7
[M]+ 399.08835 193.9
[M]- 399.08945 193.9
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

patents stripe