CID 66712

92-60-4

Structural Information

Molecular Formula
C15H17NO3S
SMILES
CCN(CC1=CC=C(C=C1)S(=O)(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C15H17NO3S/c1-2-16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)
InChIKey
HSBRAZWXTOKJQF-UHFFFAOYSA-N
Compound name
4-[(N-ethylanilino)methyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

291.09293 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 164.9
[M+Na]+ 314.08215 177.0
[M+NH4]+ 309.12675 172.5
[M+K]+ 330.05609 169.1
[M-H]- 290.08565 168.6
[M+Na-2H]- 312.06760 173.2
[M]+ 291.09238 168.1
[M]- 291.09348 168.1
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