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

197
Patents

399.16818 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17546 193.5
[M+Na]+ 422.15740 197.2
[M-H]- 398.16090 196.4
[M+NH4]+ 417.20200 206.8
[M+K]+ 438.13134 194.1
[M+H-H2O]+ 382.16544 185.6
[M+HCOO]- 444.16638 212.9
[M+CH3COO]- 458.18203 221.4
[M+Na-2H]- 420.14285 195.5
[M]+ 399.16763 200.0
[M]- 399.16873 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