CID 90320

2-naphthalenesulfonic acid, 6-[(2,6-dimethylphenyl)amino]-4-hydroxy-

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 176.4
[M+Na]+ 366.07705 185.6
[M-H]- 342.08055 182.2
[M+NH4]+ 361.12165 190.0
[M+K]+ 382.05099 179.7
[M+H-H2O]+ 326.08509 169.4
[M+HCOO]- 388.08603 191.5
[M+CH3COO]- 402.10168 209.2
[M+Na-2H]- 364.06250 180.7
[M]+ 343.08728 179.4
[M]- 343.08838 179.4
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

patents stripe