CID 9554710

Nsc209952

Structural Information

Molecular Formula
C20H19N3O2S
SMILES
COC1=CC(=C(C=C1)OC)NC(=S)N/N=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H19N3O2S/c1-24-16-10-11-19(25-2)18(12-16)22-20(26)23-21-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-13H,1-2H3,(H2,22,23,26)/b21-13+
InChIKey
IKHYLZIWLCMACL-FYJGNVAPSA-N
Compound name
1-(2,5-dimethoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1198 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12708 183.6
[M+Na]+ 388.10902 189.9
[M-H]- 364.11252 192.0
[M+NH4]+ 383.15362 197.3
[M+K]+ 404.08296 184.4
[M+H-H2O]+ 348.11706 174.3
[M+HCOO]- 410.11800 204.7
[M+CH3COO]- 424.13365 223.6
[M+Na-2H]- 386.09447 188.5
[M]+ 365.11925 187.2
[M]- 365.12035 187.2
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.