CID 66910020

2,7-di(boc-amino)fluorene

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C23H28N2O4/c1-22(2,3)28-20(26)24-16-7-9-18-14(12-16)11-15-13-17(8-10-19(15)18)25-21(27)29-23(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,24,26)(H,25,27)
InChIKey
SIESPOFABWAKDJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

396.2049 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 197.9
[M+Na]+ 419.19412 203.1
[M-H]- 395.19762 203.1
[M+NH4]+ 414.23872 212.8
[M+K]+ 435.16806 200.8
[M+H-H2O]+ 379.20216 191.7
[M+HCOO]- 441.20310 215.9
[M+CH3COO]- 455.21875 227.2
[M+Na-2H]- 417.17957 201.7
[M]+ 396.20435 202.3
[M]- 396.20545 202.3
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

patents stripe