CID 205347

17798-24-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 177.5
[M+Na]+ 329.18356 180.2
[M-H]- 305.18706 180.2
[M+NH4]+ 324.22816 191.6
[M+K]+ 345.15750 178.9
[M+H-H2O]+ 289.19160 169.7
[M+HCOO]- 351.19254 198.5
[M+CH3COO]- 365.20819 212.4
[M+Na-2H]- 327.16901 176.3
[M]+ 306.19379 179.3
[M]- 306.19489 179.3
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