CID 9579163

N-benzo[b]thiophen-7-ylmethyl-n-methyl-n'-(3-phenyl-allylidene)-hydrazine

Structural Information

Molecular Formula
C19H18N2S
SMILES
CN(CC1=CC=CC2=C1SC=C2)/N=C\C=C\C3=CC=CC=C3
InChI
InChI=1S/C19H18N2S/c1-21(20-13-6-9-16-7-3-2-4-8-16)15-18-11-5-10-17-12-14-22-19(17)18/h2-14H,15H2,1H3/b9-6+,20-13-
InChIKey
DTSWRHCDERGDCS-DUTWELIKSA-N
Compound name
1-(1-benzothiophen-7-yl)-N-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.11908 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.126356 172.4
[M+Na]+ 329.108298 180.4
[M-H]- 305.111804 182.7
[M+NH4]+ 324.152903 191.4
[M+K]+ 345.082238 174.8
[M+H-H2O]+ 289.116340 164.1
[M+HCOO]- 351.117281 196.5
[M+CH3COO]- 365.132931 184.9
[M+Na-2H]- 327.093746 176.4
[M]+ 306.11853142 177.2
[M]- 306.11962858 177.2
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.