CID 961560

N-((3-methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine

Structural Information

Molecular Formula
C13H11NO2S
SMILES
CC1=C(SC=C1)C=NC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C13H11NO2S/c1-9-4-5-17-13(9)7-14-10-2-3-11-12(6-10)16-8-15-11/h2-7H,8H2,1H3
InChIKey
PVMGWZBYNSFLEI-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-1-(3-methylthiophen-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.05106 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05834 152.3
[M+Na]+ 268.04028 164.9
[M+NH4]+ 263.08488 162.3
[M+K]+ 284.01422 159.7
[M-H]- 244.04378 160.0
[M+Na-2H]- 266.02573 158.1
[M]+ 245.05051 156.9
[M]- 245.05161 156.9
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.