CID 3015758

Einecs 252-494-4

Structural Information

Molecular Formula
C23H27N3O3S
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C23H27N3O3S/c1-25(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)26(3)4)24-19-9-15-22(16-10-19)30(27,28)29/h5-16,23-24H,1-4H3,(H,27,28,29)
InChIKey
GWNOPYKHUMPPBG-UHFFFAOYSA-N
Compound name
4-[bis[4-(dimethylamino)phenyl]methylamino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1773 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.18458 200.1
[M+Na]+ 448.16652 211.3
[M+NH4]+ 443.21112 206.5
[M+K]+ 464.14046 203.7
[M-H]- 424.17002 206.9
[M+Na-2H]- 446.15197 209.8
[M]+ 425.17675 204.0
[M]- 425.17785 204.0
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

No patent data available for this compound.