CID 9579160

1-(benzothiophen-7-yl)-n-methyl-n-[(z)-p-tolylmethyleneamino]methanamine

Structural Information

Molecular Formula
C18H18N2S
SMILES
CC1=CC=C(C=C1)/C=N\N(C)CC2=CC=CC3=C2SC=C3
InChI
InChI=1S/C18H18N2S/c1-14-6-8-15(9-7-14)12-19-20(2)13-17-5-3-4-16-10-11-21-18(16)17/h3-12H,13H2,1-2H3/b19-12-
InChIKey
UTNMWGMAJLTEGA-UNOMPAQXSA-N
Compound name
1-(1-benzothiophen-7-yl)-N-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.11908 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12636 168.4
[M+Na]+ 317.10830 177.4
[M-H]- 293.11180 179.3
[M+NH4]+ 312.15290 188.3
[M+K]+ 333.08224 172.6
[M+H-H2O]+ 277.11634 160.5
[M+HCOO]- 339.11728 192.6
[M+CH3COO]- 353.13293 181.7
[M+Na-2H]- 315.09375 172.3
[M]+ 294.11853 174.1
[M]- 294.11963 174.1
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.