CID 67218

1-naphthalenesulfonic acid, 6,8-bis(phenylamino)-

Structural Information

Molecular Formula
C22H18N2O3S
SMILES
C1=CC=C(C=C1)NC2=CC(=C3C(=C2)C=CC=C3S(=O)(=O)O)NC4=CC=CC=C4
InChI
InChI=1S/C22H18N2O3S/c25-28(26,27)21-13-7-8-16-14-19(23-17-9-3-1-4-10-17)15-20(22(16)21)24-18-11-5-2-6-12-18/h1-15,23-24H,(H,25,26,27)
InChIKey
USFSONWQSVCJBO-UHFFFAOYSA-N
Compound name
6,8-dianilinonaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

390.10382 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.11110 187.5
[M+Na]+ 413.09304 194.4
[M-H]- 389.09654 196.5
[M+NH4]+ 408.13764 198.3
[M+K]+ 429.06698 187.4
[M+H-H2O]+ 373.10108 178.3
[M+HCOO]- 435.10202 205.0
[M+CH3COO]- 449.11767 196.9
[M+Na-2H]- 411.07849 194.9
[M]+ 390.10327 188.0
[M]- 390.10437 188.0
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