CID 448285

A-357300

Structural Information

Molecular Formula
C15H22ClN3O3S
SMILES
CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)Cl)O)N
InChI
InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1
InChIKey
BYBVYIPUGPZRSX-OLZOCXBDSA-N
Compound name
N'-[(2S,3R)-3-amino-2-hydroxy-5-propan-2-ylsulfanylpentanoyl]-3-chlorobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

359.10703 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11431 183.1
[M+Na]+ 382.09625 188.3
[M+NH4]+ 377.14085 187.7
[M+K]+ 398.07019 183.6
[M-H]- 358.09975 183.1
[M+Na-2H]- 380.08170 184.3
[M]+ 359.10648 183.9
[M]- 359.10758 183.9
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