CID 3368163

2-(3-bromophenoxy)-5-(morpholine-4-sulfonyl)aniline

Structural Information

Molecular Formula
C16H17BrN2O4S
SMILES
C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC=C3)Br)N
InChI
InChI=1S/C16H17BrN2O4S/c17-12-2-1-3-13(10-12)23-16-5-4-14(11-15(16)18)24(20,21)19-6-8-22-9-7-19/h1-5,10-11H,6-9,18H2
InChIKey
WCXJDCNXZFWZPB-UHFFFAOYSA-N
Compound name
2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

412.00925 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.01653 176.9
[M+Na]+ 434.99847 186.0
[M-H]- 411.00197 187.3
[M+NH4]+ 430.04307 188.4
[M+K]+ 450.97241 175.0
[M+H-H2O]+ 395.00651 174.7
[M+HCOO]- 457.00745 188.7
[M+CH3COO]- 471.02310 215.0
[M+Na-2H]- 432.98392 181.8
[M]+ 412.00870 195.1
[M]- 412.00980 195.1
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.