CID 511729

1-(4-methoxyphenyl)-n-(5-methyl-1,2-benzothiazol-3-yl)methanimine

Structural Information

Molecular Formula
C16H14N2OS
SMILES
CC1=CC2=C(C=C1)SN=C2N=CC3=CC=C(C=C3)OC
InChI
InChI=1S/C16H14N2OS/c1-11-3-8-15-14(9-11)16(18-20-15)17-10-12-4-6-13(19-2)7-5-12/h3-10H,1-2H3
InChIKey
FLTDJJZNXSXWDD-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.08267 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 162.9
[M+Na]+ 305.07189 174.5
[M-H]- 281.07539 171.9
[M+NH4]+ 300.11649 182.0
[M+K]+ 321.04583 169.2
[M+H-H2O]+ 265.07993 155.3
[M+HCOO]- 327.08087 185.5
[M+CH3COO]- 341.09652 176.7
[M+Na-2H]- 303.05734 167.3
[M]+ 282.08212 169.7
[M]- 282.08322 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.