CID 51340973

3-{2-[2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]ethoxy}propanoic acid

Structural Information

Molecular Formula
C22H25NO6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCC(=O)O
InChI
InChI=1S/C22H25NO6/c24-21(25)9-11-27-13-14-28-12-10-23-22(26)29-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,23,26)(H,24,25)
InChIKey
QWHLFJJLRVOHTM-UHFFFAOYSA-N
Compound name
3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

399.16818 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.175456 193.5
[M+Na]+ 422.157398 197.2
[M-H]- 398.160904 196.4
[M+NH4]+ 417.202003 206.8
[M+K]+ 438.131338 194.1
[M+H-H2O]+ 382.165440 185.6
[M+HCOO]- 444.166381 212.9
[M+CH3COO]- 458.182031 221.4
[M+Na-2H]- 420.142846 195.5
[M]+ 399.16763142 200.0
[M]- 399.16872858 200.0
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