CID 146155486

2416230-86-7

Structural Information

Molecular Formula
C22H23NO5
SMILES
CC1(C(CC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O)C
InChI
InChI=1S/C22H23NO5/c1-21(2)18(24)11-22(21,19(25)26)23-20(27)28-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18,24H,11-12H2,1-2H3,(H,23,27)(H,25,26)
InChIKey
NCLUSSBPTQZDGE-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.164896 194.3
[M+Na]+ 404.146838 199.4
[M-H]- 380.150344 200.1
[M+NH4]+ 399.191443 205.4
[M+K]+ 420.120778 198.5
[M+H-H2O]+ 364.154880 183.4
[M+HCOO]- 426.155821 209.6
[M+CH3COO]- 440.171471 219.6
[M+Na-2H]- 402.132286 195.4
[M]+ 381.15707142 204.8
[M]- 381.15816858 204.8
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

No patent data available for this compound.