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

21
Patents

351.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 177.9
[M+Na]+ 374.13628 184.4
[M-H]- 350.13978 186.3
[M+NH4]+ 369.18088 189.1
[M+K]+ 390.11022 180.3
[M+H-H2O]+ 334.14432 171.4
[M+HCOO]- 396.14526 197.0
[M+CH3COO]- 410.16091 218.6
[M+Na-2H]- 372.12173 178.8
[M]+ 351.14651 183.1
[M]- 351.14761 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