CID 10616855

180080-07-3

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H28N2O4/c1-17(2,3)23-15(21)14(20-16(22)24-18(4,5)6)11-12-7-9-13(19)10-8-12/h7-10,14H,11,19H2,1-6H3,(H,20,22)/t14-/m0/s1
InChIKey
LQKGPNIRNXMQCA-AWEZNQCLSA-N
Compound name
tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

336.2049 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 181.7
[M+Na]+ 359.19412 187.8
[M+NH4]+ 354.23872 185.5
[M+K]+ 375.16806 185.9
[M-H]- 335.19762 180.5
[M+Na-2H]- 357.17957 183.6
[M]+ 336.20435 181.8
[M]- 336.20545 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