CID 121549

Brn 2752241

Structural Information

Molecular Formula
C13H17ClN2O3
SMILES
C[C@H](C(=O)NC(C)C)OC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C13H17ClN2O3/c1-8(2)15-12(17)9(3)19-13(18)16-11-6-4-5-10(14)7-11/h4-9H,1-3H3,(H,15,17)(H,16,18)/t9-/m1/s1
InChIKey
WNGVKDOGSQMHII-SECBINFHSA-N
Compound name
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09277 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.100046 164.7
[M+Na]+ 307.081988 170.0
[M-H]- 283.085494 168.1
[M+NH4]+ 302.126593 180.7
[M+K]+ 323.055928 167.6
[M+H-H2O]+ 267.090030 158.8
[M+HCOO]- 329.090971 182.7
[M+CH3COO]- 343.106621 204.2
[M+Na-2H]- 305.067436 165.3
[M]+ 284.09222142 167.3
[M]- 284.09331858 167.3
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.