CID 381462

Nsc668050

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CC(=O)OC(C1=CC=CC=C1)C(=O)NNC(=O)OC(C)(C)C
InChI
InChI=1S/C15H20N2O5/c1-10(18)21-12(11-8-6-5-7-9-11)13(19)16-17-14(20)22-15(2,3)4/h5-9,12H,1-4H3,(H,16,19)(H,17,20)
InChIKey
FWWVLPFGNQETOW-UHFFFAOYSA-N
Compound name
[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxo-1-phenylethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 171.5
[M+Na]+ 331.12642 174.8
[M-H]- 307.12992 174.6
[M+NH4]+ 326.17102 185.3
[M+K]+ 347.10036 175.3
[M+H-H2O]+ 291.13446 164.3
[M+HCOO]- 353.13540 192.4
[M+CH3COO]- 367.15105 207.1
[M+Na-2H]- 329.11187 173.5
[M]+ 308.13665 173.6
[M]- 308.13775 173.6
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.