CID 99430

17788-28-2

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCC(=O)NC1=CC(=CC=C1)OC(=O)NCC(C)C
InChI
InChI=1S/C14H20N2O3/c1-4-13(17)16-11-6-5-7-12(8-11)19-14(18)15-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
ODFQZUUQCHERDV-UHFFFAOYSA-N
Compound name
[3-(propanoylamino)phenyl] N-(2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 163.4
[M+Na]+ 287.136618 167.7
[M-H]- 263.140124 166.6
[M+NH4]+ 282.181223 179.3
[M+K]+ 303.110558 166.5
[M+H-H2O]+ 247.144660 156.0
[M+HCOO]- 309.145601 186.5
[M+CH3COO]- 323.161251 202.5
[M+Na-2H]- 285.122066 165.1
[M]+ 264.14685142 164.7
[M]- 264.14794858 164.7
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