CID 454582

144790-59-0

Structural Information

Molecular Formula
C13H15NO7S2
SMILES
CN(C)C1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2OC)S(=O)(=O)O
InChI
InChI=1S/C13H15NO7S2/c1-14(2)11-6-9(22(15,16)17)4-8-5-10(23(18,19)20)7-12(21-3)13(8)11/h4-7H,1-3H3,(H,15,16,17)(H,18,19,20)
InChIKey
ADJYTVQMBCYWFQ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-5-methoxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.029 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.03628 174.5
[M+Na]+ 384.01822 182.2
[M-H]- 360.02172 177.3
[M+NH4]+ 379.06282 187.3
[M+K]+ 399.99216 178.9
[M+H-H2O]+ 344.02626 168.6
[M+HCOO]- 406.02720 183.8
[M+CH3COO]- 420.04285 210.2
[M+Na-2H]- 382.00367 180.0
[M]+ 361.02845 181.9
[M]- 361.02955 181.9
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.