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 180.4
[M+Na]+ 395.07845 185.7
[M-H]- 371.08195 187.7
[M+NH4]+ 390.12305 195.9
[M+K]+ 411.05239 177.2
[M+H-H2O]+ 355.08649 177.0
[M+HCOO]- 417.08743 203.4
[M+CH3COO]- 431.10308 216.5
[M+Na-2H]- 393.06390 190.7
[M]+ 372.08868 183.0
[M]- 372.08978 183.0
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.