CID 103664433

1702784-66-4

Structural Information

Molecular Formula
C21H21NO4
SMILES
CN(C(C1CC1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c1-22(19(20(23)24)13-10-11-13)21(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-19H,10-12H2,1H3,(H,23,24)
InChIKey
OFIKEOIDEQSZII-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

351.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 177.9
[M+Na]+ 374.136278 184.4
[M-H]- 350.139784 186.3
[M+NH4]+ 369.180883 189.1
[M+K]+ 390.110218 180.3
[M+H-H2O]+ 334.144320 171.4
[M+HCOO]- 396.145261 197.0
[M+CH3COO]- 410.160911 218.6
[M+Na-2H]- 372.121726 178.8
[M]+ 351.14651142 183.1
[M]- 351.14760858 183.1
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