CID 17754173

N-hydroxy 1n(4-methoxyphenyl)sulfonyl-4-(z,e-n-methoxyimino)pyrrolidine-2r-carboxamide

Structural Information

Molecular Formula
C13H19N3O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)NO)NOC
InChI
InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1
InChIKey
OJLWCTMBGWSVFC-JOYOIKCWSA-N
Compound name
(2R,4S)-N-hydroxy-4-(methoxyamino)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

345.09946 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10674 174.4
[M+Na]+ 368.08868 179.4
[M-H]- 344.09218 178.4
[M+NH4]+ 363.13328 186.9
[M+K]+ 384.06262 177.3
[M+H-H2O]+ 328.09672 167.1
[M+HCOO]- 390.09766 190.1
[M+CH3COO]- 404.11331 208.5
[M+Na-2H]- 366.07413 175.7
[M]+ 345.09891 176.9
[M]- 345.10001 176.9
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

patents stripe