CID 19978444

1935967-49-9

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC(C)(C)CN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-22(2,3)14-23(12-20(24)25)21(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19H,12-14H2,1-3H3,(H,24,25)
InChIKey
RGDOHFRHWYUDCJ-UHFFFAOYSA-N
Compound name
2-[2,2-dimethylpropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

367.17834 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.185616 190.4
[M+Na]+ 390.167558 195.2
[M-H]- 366.171064 195.2
[M+NH4]+ 385.212163 206.1
[M+K]+ 406.141498 192.6
[M+H-H2O]+ 350.175600 183.7
[M+HCOO]- 412.176541 208.3
[M+CH3COO]- 426.192191 220.1
[M+Na-2H]- 388.153006 192.2
[M]+ 367.17779142 194.8
[M]- 367.17888858 194.8
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