CID 446504

Cgs-27023

Structural Information

Molecular Formula
C18H23N3O5S
SMILES
CC(C)[C@H](C(=O)NO)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKey
BSIZUMJRKYHEBR-QGZVFWFLSA-N
Compound name
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

74
References

1966
Patents

393.13583 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14311 189.4
[M+Na]+ 416.12505 192.4
[M-H]- 392.12855 194.1
[M+NH4]+ 411.16965 198.1
[M+K]+ 432.09899 190.5
[M+H-H2O]+ 376.13309 180.2
[M+HCOO]- 438.13403 203.8
[M+CH3COO]- 452.14968 222.9
[M+Na-2H]- 414.11050 190.7
[M]+ 393.13528 193.3
[M]- 393.13638 193.3
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

patents stripe