CID 132343737

2137718-93-3

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1C(CC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C21H21NO4/c23-20(24)11-13-9-14(10-13)22-21(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12H2,(H,22,25)(H,23,24)
InChIKey
SETQPPSEGAFPJS-UHFFFAOYSA-N
Compound name
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 181.1
[M+Na]+ 374.136278 184.3
[M-H]- 350.139784 187.4
[M+NH4]+ 369.180883 189.9
[M+K]+ 390.110218 183.6
[M+H-H2O]+ 334.144320 168.2
[M+HCOO]- 396.145261 198.4
[M+CH3COO]- 410.160911 216.3
[M+Na-2H]- 372.121726 181.6
[M]+ 351.14651142 190.3
[M]- 351.14760858 190.3
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