CID 45356718

1076197-04-0

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC(C)(C)OC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)O
InChI
InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-12-16(17(21)22)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKey
BFBAJLQTONSFEB-UHFFFAOYSA-N
Compound name
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-naphthalen-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 178.9
[M+Na]+ 352.15194 182.8
[M-H]- 328.15544 181.2
[M+NH4]+ 347.19654 192.6
[M+K]+ 368.12588 180.4
[M+H-H2O]+ 312.15998 171.9
[M+HCOO]- 374.16092 196.0
[M+CH3COO]- 388.17657 210.0
[M+Na-2H]- 350.13739 181.7
[M]+ 329.16217 180.6
[M]- 329.16327 180.6
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

No patent data available for this compound.