CID 90320

23973-67-3

Structural Information

Molecular Formula
C18H17NO4S
SMILES
CC1=C(C(=CC=C1)C)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O
InChI
InChI=1S/C18H17NO4S/c1-11-4-3-5-12(2)18(11)19-14-7-6-13-8-15(24(21,22)23)10-17(20)16(13)9-14/h3-10,19-20H,1-2H3,(H,21,22,23)
InChIKey
GYBJEFAGISHFTI-UHFFFAOYSA-N
Compound name
6-(2,6-dimethylanilino)-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

343.08783 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09511 177.5
[M+Na]+ 366.07705 191.2
[M+NH4]+ 361.12165 184.7
[M+K]+ 382.05099 183.0
[M-H]- 342.08055 181.2
[M+Na-2H]- 364.06250 184.5
[M]+ 343.08728 181.0
[M]- 343.08838 181.0
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

patents stripe