CID 165985141

1-[(tert-butoxy)carbonyl]-4-{[(9h-fluoren-9-yl)methoxy]carbonyl}-2-methylpiperazine-2-carboxylic acid

Structural Information

Molecular Formula
C26H30N2O6
SMILES
CC1(CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C26H30N2O6/c1-25(2,3)34-24(32)28-14-13-27(16-26(28,4)22(29)30)23(31)33-15-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-12,21H,13-16H2,1-4H3,(H,29,30)
InChIKey
DXXKIQCCVWRLBP-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2104 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.21768 213.3
[M+Na]+ 489.19962 217.5
[M-H]- 465.20312 217.0
[M+NH4]+ 484.24422 223.4
[M+K]+ 505.17356 214.7
[M+H-H2O]+ 449.20766 205.0
[M+HCOO]- 511.20860 222.1
[M+CH3COO]- 525.22425 231.6
[M+Na-2H]- 487.18507 212.4
[M]+ 466.20985 215.3
[M]- 466.21095 215.3
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.