CID 70589

O-2-naphthyl methyl-2-naphthylthiocarbamate

Structural Information

Molecular Formula
C22H17NOS
SMILES
CN(C1=CC2=CC=CC=C2C=C1)C(=S)OC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H17NOS/c1-23(20-12-10-16-6-2-4-8-18(16)14-20)22(25)24-21-13-11-17-7-3-5-9-19(17)15-21/h2-15H,1H3
InChIKey
PZHBZYPUUCYOIA-UHFFFAOYSA-N
Compound name
O-naphthalen-2-yl N-methyl-N-naphthalen-2-ylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

343.1031 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11038 176.7
[M+Na]+ 366.09232 194.3
[M+NH4]+ 361.13692 187.8
[M+K]+ 382.06626 181.9
[M-H]- 342.09582 185.0
[M+Na-2H]- 364.07777 188.5
[M]+ 343.10255 182.5
[M]- 343.10365 182.5
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