CID 11292680

Arp 101

Structural Information

Molecular Formula
C20H26N2O5S
SMILES
CC(C)[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
InChIKey
DGZZVIWCMGVHGV-LJQANCHMSA-N
Compound name
(2R)-N-hydroxy-3-methyl-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

39
Patents

406.15625 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16353 194.2
[M+Na]+ 429.14547 195.9
[M-H]- 405.14897 199.8
[M+NH4]+ 424.19007 203.6
[M+K]+ 445.11941 194.6
[M+H-H2O]+ 389.15351 185.5
[M+HCOO]- 451.15445 208.1
[M+CH3COO]- 465.17010 227.0
[M+Na-2H]- 427.13092 193.3
[M]+ 406.15570 197.8
[M]- 406.15680 197.8
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