CID 99806

17788-24-8

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCC(C)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)(C)C
InChI
InChI=1S/C17H26N2O3/c1-6-8-12(2)15(20)18-13-9-7-10-14(11-13)22-16(21)19-17(3,4)5/h7,9-12H,6,8H2,1-5H3,(H,18,20)(H,19,21)
InChIKey
LTOXWHICHNIYMA-UHFFFAOYSA-N
Compound name
[3-(2-methylpentanoylamino)phenyl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 176.2
[M+Na]+ 329.18356 179.7
[M-H]- 305.18706 179.2
[M+NH4]+ 324.22816 190.7
[M+K]+ 345.15750 178.5
[M+H-H2O]+ 289.19160 169.1
[M+HCOO]- 351.19254 196.7
[M+CH3COO]- 365.20819 211.2
[M+Na-2H]- 327.16901 177.3
[M]+ 306.19379 178.1
[M]- 306.19489 178.1
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