CID 2756167

2-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)({[(9h-fluoren-9-yl)methoxy]carbonyl})amino]acetic acid

Structural Information

Molecular Formula
C24H28N2O6
SMILES
CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)25-12-13-26(14-21(27)28)23(30)31-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,25,29)(H,27,28)
InChIKey
SMLJSDLXJRGOKW-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

440.19473 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.20201 205.7
[M+Na]+ 463.18395 208.1
[M-H]- 439.18745 210.0
[M+NH4]+ 458.22855 217.6
[M+K]+ 479.15789 207.1
[M+H-H2O]+ 423.19199 198.3
[M+HCOO]- 485.19293 223.4
[M+CH3COO]- 499.20858 234.4
[M+Na-2H]- 461.16940 206.8
[M]+ 440.19418 211.4
[M]- 440.19528 211.4
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