CID 18930710

179003-02-2

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(C)(C)OC(=O)NCCC1=CC(=CC=C1)C(=O)OC
InChI
InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-9-8-11-6-5-7-12(10-11)13(17)19-4/h5-7,10H,8-9H2,1-4H3,(H,16,18)
InChIKey
GDNVJKURBWWZMR-UHFFFAOYSA-N
Compound name
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

279.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.7
[M+Na]+ 302.13628 174.8
[M+NH4]+ 297.18088 171.1
[M+K]+ 318.11022 170.8
[M-H]- 278.13978 165.6
[M+Na-2H]- 300.12173 169.6
[M]+ 279.14651 166.7
[M]- 279.14761 166.7
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