CID 79021815

1199775-14-8

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CC(C1)(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-19(24)12-21(10-5-11-21)22-20(25)26-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18H,5,10-13H2,(H,22,25)(H,23,24)
InChIKey
MPIXHDNMTIOCPW-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 183.7
[M+Na]+ 374.136278 187.3
[M-H]- 350.139784 190.0
[M+NH4]+ 369.180883 194.2
[M+K]+ 390.110218 186.3
[M+H-H2O]+ 334.144320 171.3
[M+HCOO]- 396.145261 201.0
[M+CH3COO]- 410.160911 214.6
[M+Na-2H]- 372.121726 185.7
[M]+ 351.14651142 192.9
[M]- 351.14760858 192.9
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.