CID 1118418

300375-26-2

Structural Information

Molecular Formula
C16H17N3O5S
SMILES
C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O5S/c20-19(21)15-3-1-2-4-16(15)25(22,23)17-13-5-7-14(8-6-13)18-9-11-24-12-10-18/h1-8,17H,9-12H2
InChIKey
KSKAPXZQBIVNAS-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

363.0889 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09618 177.8
[M+Na]+ 386.07812 181.0
[M-H]- 362.08162 186.0
[M+NH4]+ 381.12272 185.6
[M+K]+ 402.05206 173.7
[M+H-H2O]+ 346.08616 172.5
[M+HCOO]- 408.08710 192.7
[M+CH3COO]- 422.10275 205.4
[M+Na-2H]- 384.06357 185.5
[M]+ 363.08835 174.3
[M]- 363.08945 174.3
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.