CID 9579162

1-(benzothiophen-7-yl)-n-methyl-n-[(z)-2-naphthylmethyleneamino]methanamine

Structural Information

Molecular Formula
C21H18N2S
SMILES
CN(CC1=CC=CC2=C1SC=C2)/N=C\C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H18N2S/c1-23(15-20-8-4-7-18-11-12-24-21(18)20)22-14-16-9-10-17-5-2-3-6-19(17)13-16/h2-14H,15H2,1H3/b22-14-
InChIKey
HDDXGXIWRFHNDR-HMAPJEAMSA-N
Compound name
1-(1-benzothiophen-7-yl)-N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.11908 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12636 176.4
[M+Na]+ 353.10830 185.5
[M-H]- 329.11180 187.8
[M+NH4]+ 348.15290 195.5
[M+K]+ 369.08224 179.5
[M+H-H2O]+ 313.11634 168.2
[M+HCOO]- 375.11728 199.4
[M+CH3COO]- 389.13293 189.0
[M+Na-2H]- 351.09375 182.0
[M]+ 330.11853 181.9
[M]- 330.11963 181.9
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.