CID 3059802

1-naphthalenyl (((1,1-dimethylethyl)thio)sulfinyl)methylcarbamate

Structural Information

Molecular Formula
C16H19NO3S2
SMILES
CC(C)(C)SS(=O)N(C)C(=O)OC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H19NO3S2/c1-16(2,3)21-22(19)17(4)15(18)20-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,1-4H3
InChIKey
MXOSNXYBMUQSLO-UHFFFAOYSA-N
Compound name
naphthalen-1-yl N-tert-butylsulfanylsulfinyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.08063 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08791 175.7
[M+Na]+ 360.06985 181.4
[M-H]- 336.07335 180.4
[M+NH4]+ 355.11445 191.1
[M+K]+ 376.04379 178.1
[M+H-H2O]+ 320.07789 168.8
[M+HCOO]- 382.07883 185.6
[M+CH3COO]- 396.09448 211.7
[M+Na-2H]- 358.05530 177.7
[M]+ 337.08008 181.7
[M]- 337.08118 181.7
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