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

12
Patents

327.1293 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13658 178.7
[M+Na]+ 350.11852 186.1
[M-H]- 326.12202 184.0
[M+NH4]+ 345.16312 197.3
[M+K]+ 366.09246 181.5
[M+H-H2O]+ 310.12656 172.9
[M+HCOO]- 372.12750 194.4
[M+CH3COO]- 386.14315 210.2
[M+Na-2H]- 348.10397 182.0
[M]+ 327.12875 184.1
[M]- 327.12985 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