CID 103664341

1700368-07-5

Structural Information

Molecular Formula
C21H21NO4
SMILES
CN(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4(CCC4)C(=O)O
InChI
InChI=1S/C21H21NO4/c1-22(21(19(23)24)11-6-12-21)20(25)26-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,24)
InChIKey
FSCVZMKQHDWWQA-UHFFFAOYSA-N
Compound name
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

351.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 184.8
[M+Na]+ 374.136278 188.4
[M-H]- 350.139784 192.4
[M+NH4]+ 369.180883 195.9
[M+K]+ 390.110218 188.8
[M+H-H2O]+ 334.144320 172.3
[M+HCOO]- 396.145261 202.5
[M+CH3COO]- 410.160911 217.7
[M+Na-2H]- 372.121726 186.0
[M]+ 351.14651142 195.1
[M]- 351.14760858 195.1
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