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

51
Patents

396.2049 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.212176 197.9
[M+Na]+ 419.194118 203.1
[M-H]- 395.197624 203.1
[M+NH4]+ 414.238723 212.8
[M+K]+ 435.168058 200.8
[M+H-H2O]+ 379.202160 191.7
[M+HCOO]- 441.203101 215.9
[M+CH3COO]- 455.218751 227.2
[M+Na-2H]- 417.179566 201.7
[M]+ 396.20435142 202.3
[M]- 396.20544858 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