CID 1581102

5978-22-3

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)N
InChI
InChI=1S/C18H28N2O4/c1-18(2,3)24-16(21)15(19)11-7-8-12-20-17(22)23-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13,19H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKey
AKFVZALISNAFRA-HNNXBMFYSA-N
Compound name
tert-butyl (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

336.2049 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 182.9
[M+Na]+ 359.19412 188.9
[M+NH4]+ 354.23872 186.9
[M+K]+ 375.16806 185.5
[M-H]- 335.19762 182.3
[M+Na-2H]- 357.17957 185.0
[M]+ 336.20435 183.0
[M]- 336.20545 183.0
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