CID 458885

4'amino-4-butylbenzenesulfonanilide

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N
InChI
InChI=1S/C16H20N2O2S/c1-2-3-4-13-5-11-16(12-6-13)21(19,20)18-15-9-7-14(17)8-10-15/h5-12,18H,2-4,17H2,1H3
InChIKey
IBHODGXXVYTVBI-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-4-butylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12454 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13182 169.6
[M+Na]+ 327.11376 176.3
[M-H]- 303.11726 175.7
[M+NH4]+ 322.15836 184.1
[M+K]+ 343.08770 170.6
[M+H-H2O]+ 287.12180 161.6
[M+HCOO]- 349.12274 188.6
[M+CH3COO]- 363.13839 206.3
[M+Na-2H]- 325.09921 173.1
[M]+ 304.12399 170.7
[M]- 304.12509 170.7
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.