CID 138013816

2243514-47-6

Structural Information

Molecular Formula

C₁₇H₂₃NO₄

SMILES

CC(C)(C)OC(=O)NC1CCCC2=C(C1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-14-6-4-5-11-7-8-12(15(19)20)9-13(11)10-14/h7-9,14H,4-6,10H2,1-3H3,(H,18,21)(H,19,20)

InChIKey

FYFIUYBRPATIEC-UHFFFAOYSA-N

Compound name

6-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.16272 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	306.169996	167.2
[M+Na]+	328.151938	169.9
[M-H]-	304.155444	171.0
[M+NH4]+	323.196543	181.3
[M+K]+	344.125878	173.1
[M+H-H2O]+	288.159980	162.3
[M+HCOO]-	350.160921	182.9
[M+CH3COO]-	364.176571	205.5
[M+Na-2H]-	326.137386	169.7
[M]+	305.16217142	163.6
[M]-	305.16326858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.