CID 164524

Naftoxate

Structural Information

Molecular Formula
C19H14N2OS2
SMILES
CN(C1=CC=CC2=CC=CC=C21)C(=S)SC3=NC4=CC=CC=C4O3
InChI
InChI=1S/C19H14N2OS2/c1-21(16-11-6-8-13-7-2-3-9-14(13)16)19(23)24-18-20-15-10-4-5-12-17(15)22-18/h2-12H,1H3
InChIKey
LJYUANIJQACDNJ-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-2-yl N-methyl-N-naphthalen-1-ylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

350.05475 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06203 177.5
[M+Na]+ 373.04397 188.3
[M-H]- 349.04747 187.1
[M+NH4]+ 368.08857 193.4
[M+K]+ 389.01791 183.3
[M+H-H2O]+ 333.05201 170.9
[M+HCOO]- 395.05295 190.9
[M+CH3COO]- 409.06860 189.4
[M+Na-2H]- 371.02942 181.6
[M]+ 350.05420 184.2
[M]- 350.05530 184.2
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

No patent data available for this compound.