CID 115429580

1553069-09-2

Structural Information

Molecular Formula
C22H25NO4
SMILES
CCC(CC)(CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C22H25NO4/c1-3-22(4-2,20(24)25)14-23-21(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKey
LNSQXJKPWGEBBL-UHFFFAOYSA-N
Compound name
2-ethyl-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.17834 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.185616 190.0
[M+Na]+ 390.167558 194.7
[M-H]- 366.171064 193.4
[M+NH4]+ 385.212163 205.0
[M+K]+ 406.141498 190.6
[M+H-H2O]+ 350.175600 183.4
[M+HCOO]- 412.176541 207.5
[M+CH3COO]- 426.192191 217.5
[M+Na-2H]- 388.153006 192.6
[M]+ 367.17779142 193.3
[M]- 367.17888858 193.3
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

No patent data available for this compound.