CID 2756225

1-(9-fluorenylmethyloxycarbonyl-amino)-3,6-dioxa-8-octaneamine hydrochloride

Structural Information

Molecular Formula
C21H26N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCN
InChI
InChI=1S/C21H26N2O4/c22-9-11-25-13-14-26-12-10-23-21(24)27-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15,22H2,(H,23,24)
InChIKey
WRSIVCZCMZKJLO-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

370.18927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 186.7
[M+Na]+ 393.178488 191.0
[M-H]- 369.181994 190.5
[M+NH4]+ 388.223093 201.7
[M+K]+ 409.152428 187.1
[M+H-H2O]+ 353.186530 178.4
[M+HCOO]- 415.187471 208.9
[M+CH3COO]- 429.203121 221.0
[M+Na-2H]- 391.163936 190.1
[M]+ 370.18872142 191.6
[M]- 370.18981858 191.6
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