CID 45599183

2-(2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)acetic acid

Structural Information

Molecular Formula
C19H19NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCC(=O)O
InChI
InChI=1S/C19H19NO5/c21-18(22)12-24-10-9-20-19(23)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,20,23)(H,21,22)
InChIKey
LBVXPUINIMIGAU-UHFFFAOYSA-N
Compound name
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

341.1263 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 177.7
[M+Na]+ 364.11552 183.1
[M-H]- 340.11902 181.3
[M+NH4]+ 359.16012 193.6
[M+K]+ 380.08946 179.8
[M+H-H2O]+ 324.12356 170.6
[M+HCOO]- 386.12450 198.0
[M+CH3COO]- 400.14015 210.4
[M+Na-2H]- 362.10097 181.0
[M]+ 341.12575 181.9
[M]- 341.12685 181.9
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

patents stripe