CID 66680

Benzenesulfonic acid, 4-[bis(phenylmethyl)amino]-

Structural Information

Molecular Formula
C20H19NO3S
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C20H19NO3S/c22-25(23,24)20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,22,23,24)
InChIKey
DHRZHJZKNWAIJE-UHFFFAOYSA-N
Compound name
4-(dibenzylamino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

353.10855 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11583 181.8
[M+Na]+ 376.09777 187.7
[M-H]- 352.10127 191.1
[M+NH4]+ 371.14237 193.9
[M+K]+ 392.07171 182.4
[M+H-H2O]+ 336.10581 172.7
[M+HCOO]- 398.10675 199.8
[M+CH3COO]- 412.12240 211.6
[M+Na-2H]- 374.08322 186.2
[M]+ 353.10800 183.8
[M]- 353.10910 183.8
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

patents stripe