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]+ 307.12636 172.4
[M+Na]+ 329.10830 180.4
[M-H]- 305.11180 182.7
[M+NH4]+ 324.15290 191.4
[M+K]+ 345.08224 174.8
[M+H-H2O]+ 289.11634 164.1
[M+HCOO]- 351.11728 196.5
[M+CH3COO]- 365.13293 184.9
[M+Na-2H]- 327.09375 176.4
[M]+ 306.11853 177.2
[M]- 306.11963 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.