CID 2756185

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

Structural Information

Molecular Formula
C24H29NO7
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C24H29NO7/c26-23(27)9-11-29-13-15-31-16-14-30-12-10-25-24(28)32-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,25,28)(H,26,27)
InChIKey
CHIDDYZONKDHLG-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

443.1944 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.20168 204.3
[M+Na]+ 466.18362 206.7
[M-H]- 442.18712 206.6
[M+NH4]+ 461.22822 215.5
[M+K]+ 482.15756 204.0
[M+H-H2O]+ 426.19166 195.7
[M+HCOO]- 488.19260 223.0
[M+CH3COO]- 502.20825 229.3
[M+Na-2H]- 464.16907 205.5
[M]+ 443.19385 212.8
[M]- 443.19495 212.8
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