CID 99421

17838-04-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 163.6
[M+Na]+ 287.13662 167.6
[M-H]- 263.14012 166.9
[M+NH4]+ 282.18122 179.5
[M+K]+ 303.11056 167.1
[M+H-H2O]+ 247.14466 156.4
[M+HCOO]- 309.14560 185.7
[M+CH3COO]- 323.16125 203.5
[M+Na-2H]- 285.12207 164.0
[M]+ 264.14685 164.3
[M]- 264.14795 164.3
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

patents stripe