CID 3368160

3-amino-4-(4-bromophenoxy)-n,n-diethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C16H19BrN2O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)Br)N
InChI
InChI=1S/C16H19BrN2O3S/c1-3-19(4-2)23(20,21)14-9-10-16(15(18)11-14)22-13-7-5-12(17)6-8-13/h5-11H,3-4,18H2,1-2H3
InChIKey
PFDWMGSJMBMWBS-UHFFFAOYSA-N
Compound name
3-amino-4-(4-bromophenoxy)-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.02997 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.03725 174.8
[M+Na]+ 421.01919 184.8
[M-H]- 397.02269 184.6
[M+NH4]+ 416.06379 190.1
[M+K]+ 436.99313 172.5
[M+H-H2O]+ 381.02723 172.1
[M+HCOO]- 443.02817 192.0
[M+CH3COO]- 457.04382 220.7
[M+Na-2H]- 419.00464 178.8
[M]+ 398.02942 197.1
[M]- 398.03052 197.1
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

No patent data available for this compound.