CID 9579157

N-benzo[b]thiophen-7-ylmethyl-n'-benzylidene-n-methyl-hydrazine

Structural Information

Molecular Formula
C17H16N2S
SMILES
CN(CC1=CC=CC2=C1SC=C2)/N=C\C3=CC=CC=C3
InChI
InChI=1S/C17H16N2S/c1-19(18-12-14-6-3-2-4-7-14)13-16-9-5-8-15-10-11-20-17(15)16/h2-12H,13H2,1H3/b18-12-
InChIKey
YOQDAFXFWBBYEF-PDGQHHTCSA-N
Compound name
1-(1-benzothiophen-7-yl)-N-[(Z)-benzylideneamino]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.10342 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11070 163.6
[M+Na]+ 303.09264 172.2
[M-H]- 279.09614 174.3
[M+NH4]+ 298.13724 183.8
[M+K]+ 319.06658 167.6
[M+H-H2O]+ 263.10068 155.7
[M+HCOO]- 325.10162 188.2
[M+CH3COO]- 339.11727 177.0
[M+Na-2H]- 301.07809 168.7
[M]+ 280.10287 168.6
[M]- 280.10397 168.6
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.