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

273
Patents

341.1263 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.133576 177.7
[M+Na]+ 364.115518 183.1
[M-H]- 340.119024 181.3
[M+NH4]+ 359.160123 193.6
[M+K]+ 380.089458 179.8
[M+H-H2O]+ 324.123560 170.6
[M+HCOO]- 386.124501 198.0
[M+CH3COO]- 400.140151 210.4
[M+Na-2H]- 362.100966 181.0
[M]+ 341.12575142 181.9
[M]- 341.12684858 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