CID 312444

17788-27-1

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

57
Patents

250.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 158.8
[M+Na]+ 273.12096 163.5
[M-H]- 249.12446 162.2
[M+NH4]+ 268.16556 175.3
[M+K]+ 289.09490 162.6
[M+H-H2O]+ 233.12900 151.6
[M+HCOO]- 295.12994 182.2
[M+CH3COO]- 309.14559 199.5
[M+Na-2H]- 271.10641 161.0
[M]+ 250.13119 159.7
[M]- 250.13229 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