CID 99429

17795-80-1

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCC(C)(C)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)(C)C
InChI
InChI=1S/C18H28N2O3/c1-7-11-18(5,6)15(21)19-13-9-8-10-14(12-13)23-16(22)20-17(2,3)4/h8-10,12H,7,11H2,1-6H3,(H,19,21)(H,20,22)
InChIKey
PNJZAJBZQHXCMJ-UHFFFAOYSA-N
Compound name
[3-(2,2-dimethylpentanoylamino)phenyl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 179.4
[M+Na]+ 343.19922 183.1
[M-H]- 319.20272 182.5
[M+NH4]+ 338.24382 193.4
[M+K]+ 359.17316 181.7
[M+H-H2O]+ 303.20726 172.7
[M+HCOO]- 365.20820 199.0
[M+CH3COO]- 379.22385 213.8
[M+Na-2H]- 341.18467 182.3
[M]+ 320.20945 181.8
[M]- 320.21055 181.8
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