CID 312444

[3-(propanoylamino)phenyl] n-propan-2-ylcarbamate

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCC(=O)NC1=CC(=CC=C1)OC(=O)NC(C)C
InChI
InChI=1S/C13H18N2O3/c1-4-12(16)15-10-6-5-7-11(8-10)18-13(17)14-9(2)3/h5-9H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ZZROZXYQSJYQJQ-UHFFFAOYSA-N
Compound name
[3-(propanoylamino)phenyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

250.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 158.8
[M+Na]+ 273.120958 163.5
[M-H]- 249.124464 162.2
[M+NH4]+ 268.165563 175.3
[M+K]+ 289.094898 162.6
[M+H-H2O]+ 233.129000 151.6
[M+HCOO]- 295.129941 182.2
[M+CH3COO]- 309.145591 199.5
[M+Na-2H]- 271.106406 161.0
[M]+ 250.13119142 159.7
[M]- 250.13228858 159.7
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

patents stripe