CID 154975741

2272860-02-1

Structural Information

Molecular Formula
C19H21NO2S
SMILES
CC(C)(CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)S
InChI
InChI=1S/C19H21NO2S/c1-19(2,23)12-20-18(21)22-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17,23H,11-12H2,1-2H3,(H,20,21)
InChIKey
WXDPOLMCECOZJA-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(2-methyl-2-sulfanylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

327.1293 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.136576 178.7
[M+Na]+ 350.118518 186.1
[M-H]- 326.122024 184.0
[M+NH4]+ 345.163123 197.3
[M+K]+ 366.092458 181.5
[M+H-H2O]+ 310.126560 172.9
[M+HCOO]- 372.127501 194.4
[M+CH3COO]- 386.143151 210.2
[M+Na-2H]- 348.103966 182.0
[M]+ 327.12875142 184.1
[M]- 327.12984858 184.1
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