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]+ 285.10005 164.7
[M+Na]+ 307.08199 170.0
[M-H]- 283.08549 168.1
[M+NH4]+ 302.12659 180.7
[M+K]+ 323.05593 167.6
[M+H-H2O]+ 267.09003 158.8
[M+HCOO]- 329.09097 182.7
[M+CH3COO]- 343.10662 204.2
[M+Na-2H]- 305.06744 165.3
[M]+ 284.09222 167.3
[M]- 284.09332 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.