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]+ 382.16490 194.3
[M+Na]+ 404.14684 199.4
[M-H]- 380.15034 200.1
[M+NH4]+ 399.19144 205.4
[M+K]+ 420.12078 198.5
[M+H-H2O]+ 364.15488 183.4
[M+HCOO]- 426.15582 209.6
[M+CH3COO]- 440.17147 219.6
[M+Na-2H]- 402.13229 195.4
[M]+ 381.15707 204.8
[M]- 381.15817 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.