CID 51059987

882864-08-6

Structural Information

Molecular Formula
C20H16N2O2S
SMILES
COC1=C(C=C2C(=C1)N=C(S2)/N=C/C3=CC4=CC=CC=C4C=C3)OC
InChI
InChI=1S/C20H16N2O2S/c1-23-17-10-16-19(11-18(17)24-2)25-20(22-16)21-12-13-7-8-14-5-3-4-6-15(14)9-13/h3-12H,1-2H3/b21-12+
InChIKey
ZMVKLZQOLCZXNQ-CIAFOILYSA-N
Compound name
(E)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.09326 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10054 180.4
[M+Na]+ 371.08248 191.9
[M-H]- 347.08598 190.0
[M+NH4]+ 366.12708 197.5
[M+K]+ 387.05642 186.0
[M+H-H2O]+ 331.09052 172.0
[M+HCOO]- 393.09146 201.4
[M+CH3COO]- 407.10711 192.9
[M+Na-2H]- 369.06793 185.2
[M]+ 348.09271 189.0
[M]- 348.09381 189.0
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

No patent data available for this compound.