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]+ 368.18562 190.0
[M+Na]+ 390.16756 194.7
[M-H]- 366.17106 193.4
[M+NH4]+ 385.21216 205.0
[M+K]+ 406.14150 190.6
[M+H-H2O]+ 350.17560 183.4
[M+HCOO]- 412.17654 207.5
[M+CH3COO]- 426.19219 217.5
[M+Na-2H]- 388.15301 192.6
[M]+ 367.17779 193.3
[M]- 367.17889 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.