CID 222770

Nsc9632

Structural Information

Molecular Formula
C16H19BrN2O2S
SMILES
CC(C)(C)C1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N)Br
InChI
InChI=1S/C16H19BrN2O2S/c1-16(2,3)14-9-6-12(10-15(14)17)19-22(20,21)13-7-4-11(18)5-8-13/h4-10,19H,18H2,1-3H3
InChIKey
AXPXCXUYLGNCCB-UHFFFAOYSA-N
Compound name
4-amino-N-(3-bromo-4-tert-butylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.03506 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.04234 173.1
[M+Na]+ 405.02428 183.7
[M-H]- 381.02778 181.9
[M+NH4]+ 400.06888 188.7
[M+K]+ 420.99822 169.9
[M+H-H2O]+ 365.03232 171.3
[M+HCOO]- 427.03326 188.2
[M+CH3COO]- 441.04891 215.5
[M+Na-2H]- 403.00973 178.4
[M]+ 382.03451 192.4
[M]- 382.03561 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.