CID 482986

7-acetamido-4-acetoxy-naphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C14H13NO6S
SMILES
CC(=O)NC1=CC2=CC(=CC(=C2C=C1)OC(=O)C)S(=O)(=O)O
InChI
InChI=1S/C14H13NO6S/c1-8(16)15-11-3-4-13-10(5-11)6-12(22(18,19)20)7-14(13)21-9(2)17/h3-7H,1-2H3,(H,15,16)(H,18,19,20)
InChIKey
JSQDBFPUAVEUQL-UHFFFAOYSA-N
Compound name
7-acetamido-4-acetyloxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.04636 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05364 167.4
[M+Na]+ 346.03558 175.0
[M-H]- 322.03908 170.8
[M+NH4]+ 341.08018 181.9
[M+K]+ 362.00952 172.4
[M+H-H2O]+ 306.04362 161.2
[M+HCOO]- 368.04456 182.5
[M+CH3COO]- 382.06021 204.2
[M+Na-2H]- 344.02103 171.2
[M]+ 323.04581 172.6
[M]- 323.04691 172.6
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.