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]+ 372.180556 187.0
[M+Na]+ 394.162498 191.5
[M-H]- 370.166004 190.0
[M+NH4]+ 389.207103 201.7
[M+K]+ 410.136438 187.7
[M+H-H2O]+ 354.170540 179.1
[M+HCOO]- 416.171481 207.4
[M+CH3COO]- 430.187131 216.1
[M+Na-2H]- 392.147946 190.4
[M]+ 371.17273142 193.1
[M]- 371.17382858 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

literature stripe

Patent stripe

patents stripe