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]+ 368.18562 190.4
[M+Na]+ 390.16756 195.2
[M-H]- 366.17106 195.2
[M+NH4]+ 385.21216 206.1
[M+K]+ 406.14150 192.6
[M+H-H2O]+ 350.17560 183.7
[M+HCOO]- 412.17654 208.3
[M+CH3COO]- 426.19219 220.1
[M+Na-2H]- 388.15301 192.2
[M]+ 367.17779 194.8
[M]- 367.17889 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