CID 130146

124262-82-4

Structural Information

Molecular Formula
C24H28N2O3S
SMILES
CN(C)C1=CC=C(C=C1)C(CC2=CC=CC=C2S(=O)(=O)O)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C24H28N2O3S/c1-25(2)21-13-9-18(10-14-21)23(19-11-15-22(16-12-19)26(3)4)17-20-7-5-6-8-24(20)30(27,28)29/h5-16,23H,17H2,1-4H3,(H,27,28,29)
InChIKey
MFEPWAJFBAHWAJ-UHFFFAOYSA-N
Compound name
2-[2,2-bis[4-(dimethylamino)phenyl]ethyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

3
Patents

424.18207 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18935 201.8
[M+Na]+ 447.17129 206.1
[M-H]- 423.17479 212.3
[M+NH4]+ 442.21589 211.6
[M+K]+ 463.14523 202.4
[M+H-H2O]+ 407.17933 191.7
[M+HCOO]- 469.18027 218.6
[M+CH3COO]- 483.19592 234.8
[M+Na-2H]- 445.15674 202.1
[M]+ 424.18152 205.9
[M]- 424.18262 205.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe