CID 221324

64308-51-6

Structural Information

Molecular Formula
C10H13N3O5S
SMILES
C1COCCN1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O5S/c14-13(15)9-1-3-10(4-2-9)19(16,17)11-12-5-7-18-8-6-12/h1-4,11H,5-8H2
InChIKey
LXDVDPNKLHIGAZ-UHFFFAOYSA-N
Compound name
N-morpholin-4-yl-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

287.0576 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06488 156.8
[M+Na]+ 310.04682 160.7
[M-H]- 286.05032 162.2
[M+NH4]+ 305.09142 168.1
[M+K]+ 326.02076 155.0
[M+H-H2O]+ 270.05486 153.2
[M+HCOO]- 332.05580 172.4
[M+CH3COO]- 346.07145 189.9
[M+Na-2H]- 308.03227 165.3
[M]+ 287.05705 153.4
[M]- 287.05815 153.4
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.