CID 17039577

[2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethyl]-carbamic acid 9h-fluoren-9-ylmethyl ester

Structural Information

Molecular Formula
C21H25NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCO
InChI
InChI=1S/C21H25NO5/c23-10-12-26-14-13-25-11-9-22-21(24)27-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20,23H,9-15H2,(H,22,24)
InChIKey
OKWGKDNHZKUFBX-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

371.17328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 187.0
[M+Na]+ 394.16250 191.5
[M-H]- 370.16600 190.0
[M+NH4]+ 389.20710 201.7
[M+K]+ 410.13644 187.7
[M+H-H2O]+ 354.17054 179.1
[M+HCOO]- 416.17148 207.4
[M+CH3COO]- 430.18713 216.1
[M+Na-2H]- 392.14795 190.4
[M]+ 371.17273 193.1
[M]- 371.17383 193.1
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

No patent data available for this compound.