CID 49767934

2-(2-naphthyloxyacetamido)-4-(methylthio)butanoylhydrazine

Structural Information

Molecular Formula
C17H21N3O3S
SMILES
CSCC[C@@H](C(=O)NN)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C17H21N3O3S/c1-24-9-8-15(17(22)20-18)19-16(21)11-23-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9,11,18H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKey
MAWUTMMNPUSVAF-HNNXBMFYSA-N
Compound name
N-[(2S)-1-hydrazinyl-4-methylsulfanyl-1-oxobutan-2-yl]-2-naphthalen-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.13037 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13765 178.7
[M+Na]+ 370.11959 181.6
[M-H]- 346.12309 181.3
[M+NH4]+ 365.16419 191.6
[M+K]+ 386.09353 177.9
[M+H-H2O]+ 330.12763 170.5
[M+HCOO]- 392.12857 195.3
[M+CH3COO]- 406.14422 218.1
[M+Na-2H]- 368.10504 180.4
[M]+ 347.12982 180.4
[M]- 347.13092 180.4
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.