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

3
Patents

306.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 176.2
[M+Na]+ 329.183558 179.7
[M-H]- 305.187064 179.2
[M+NH4]+ 324.228163 190.7
[M+K]+ 345.157498 178.5
[M+H-H2O]+ 289.191600 169.1
[M+HCOO]- 351.192541 196.7
[M+CH3COO]- 365.208191 211.2
[M+Na-2H]- 327.169006 177.3
[M]+ 306.19379142 178.1
[M]- 306.19488858 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