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 178.9
[M+Na]+ 366.09232 187.0
[M-H]- 342.09582 188.4
[M+NH4]+ 361.13692 194.7
[M+K]+ 382.06626 181.1
[M+H-H2O]+ 326.10036 170.0
[M+HCOO]- 388.10130 197.2
[M+CH3COO]- 402.11695 190.1
[M+Na-2H]- 364.07777 184.9
[M]+ 343.10255 183.0
[M]- 343.10365 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

patents stripe