CID 86042560

849949-18-4

Structural Information

Molecular Formula
C17H16N4O4S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCS(=O)(=O)N=[N+]=[N-]
InChI
InChI=1S/C17H16N4O4S/c18-20-21-26(23,24)10-9-19-17(22)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)
InChIKey
LKKLTYSPZGNHRZ-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.08923 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09651 179.1
[M+Na]+ 395.07845 188.7
[M+NH4]+ 390.12305 185.8
[M+K]+ 411.05239 184.5
[M-H]- 371.08195 183.1
[M+Na-2H]- 393.06390 184.1
[M]+ 372.08868 181.6
[M]- 372.08978 181.6
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.