CID 80576

6310-59-4

Structural Information

Molecular Formula
C24H28N2O4S
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=C(C=C3)OC)S(=O)(=O)O
InChI
InChI=1S/C24H28N2O4S/c1-25(2)20-11-6-17(7-12-20)24(18-8-13-21(14-9-18)26(3)4)19-10-15-22(30-5)23(16-19)31(27,28)29/h6-16,24H,1-5H3,(H,27,28,29)
InChIKey
GAAUIFWXJUPEPQ-UHFFFAOYSA-N
Compound name
5-[bis[4-(dimethylamino)phenyl]methyl]-2-methoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.17697 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18425 204.9
[M+Na]+ 463.16619 209.7
[M-H]- 439.16969 215.7
[M+NH4]+ 458.21079 214.1
[M+K]+ 479.14013 206.9
[M+H-H2O]+ 423.17423 194.7
[M+HCOO]- 485.17517 221.8
[M+CH3COO]- 499.19082 238.3
[M+Na-2H]- 461.15164 204.8
[M]+ 440.17642 210.8
[M]- 440.17752 210.8
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.