CID 454581

144790-73-8

Structural Information

Molecular Formula
C14H18NO7S2
SMILES
C[N+](C)(C)C1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2OC)S(=O)(=O)O
InChI
InChI=1S/C14H17NO7S2/c1-15(2,3)12-7-10(23(16,17)18)5-9-6-11(24(19,20)21)8-13(22-4)14(9)12/h5-8H,1-4H3,(H-,16,17,18,19,20,21)/p+1
InChIKey
ZAWMXJDZORMLQV-UHFFFAOYSA-O
Compound name
(8-methoxy-3,6-disulfonaphthalen-1-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.05246 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.05974 175.6
[M+Na]+ 399.04168 182.9
[M-H]- 375.04518 178.5
[M+NH4]+ 394.08628 187.7
[M+K]+ 415.01562 173.7
[M+H-H2O]+ 359.04972 172.4
[M+HCOO]- 421.05066 183.6
[M+CH3COO]- 435.06631 204.7
[M+Na-2H]- 397.02713 186.0
[M]+ 376.05191 180.8
[M]- 376.05301 180.8
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.