CID 3085282

Acetamide, n-(3,6-bis((ethylamino)sulfonyl)-8-hydroxy-1-naphthalenyl)-

Structural Information

Molecular Formula
C16H21N3O6S2
SMILES
CCNS(=O)(=O)C1=CC(=C2C(=C1)C=C(C=C2O)S(=O)(=O)NCC)NC(=O)C
InChI
InChI=1S/C16H21N3O6S2/c1-4-17-26(22,23)12-6-11-7-13(27(24,25)18-5-2)9-15(21)16(11)14(8-12)19-10(3)20/h6-9,17-18,21H,4-5H2,1-3H3,(H,19,20)
InChIKey
JICAVJORXZWPEV-UHFFFAOYSA-N
Compound name
N-[3,6-bis(ethylsulfamoyl)-8-hydroxynaphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.0872 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.09448 189.5
[M+Na]+ 438.07642 194.5
[M-H]- 414.07992 191.0
[M+NH4]+ 433.12102 199.2
[M+K]+ 454.05036 189.2
[M+H-H2O]+ 398.08446 182.3
[M+HCOO]- 460.08540 199.3
[M+CH3COO]- 474.10105 225.9
[M+Na-2H]- 436.06187 195.2
[M]+ 415.08665 193.9
[M]- 415.08775 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

No patent data available for this compound.