CID 701798

Maybridge1_006284

Structural Information

Molecular Formula

C₁₉H₁₄N₂O₂S

SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)N=CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H14N2O2S/c1-2-4-14-13(3-1)6-8-17-18(14)21-19(24-17)20-10-12-5-7-15-16(9-12)23-11-22-15/h1-5,7,9-10H,6,8,11H2

InChIKey

OKKNMODTFZZJRK-UHFFFAOYSA-N

Compound name

1-(1,3-benzodioxol-5-yl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 334.0776 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	335.084876	172.0
[M+Na]+	357.066818	182.4
[M-H]-	333.070324	183.2
[M+NH4]+	352.111423	189.7
[M+K]+	373.040758	179.4
[M+H-H2O]+	317.074860	166.2
[M+HCOO]-	379.075801	188.6
[M+CH3COO]-	393.091451	184.6
[M+Na-2H]-	355.052266	176.0
[M]+	334.07705142	176.9
[M]-	334.07814858	176.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.