CID 9572293

Nsc710407

Structural Information

Molecular Formula
C17H15ClN2S
SMILES
CN(CC1=CC=CC2=C1SC=C2)/N=C\C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2S/c1-20(19-11-13-5-7-16(18)8-6-13)12-15-4-2-3-14-9-10-21-17(14)15/h2-11H,12H2,1H3/b19-11-
InChIKey
BEPNDRKIBJSCCI-ODLFYWEKSA-N
Compound name
1-(1-benzothiophen-7-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.06445 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07173 172.4
[M+Na]+ 337.05367 182.6
[M-H]- 313.05717 183.3
[M+NH4]+ 332.09827 192.4
[M+K]+ 353.02761 176.4
[M+H-H2O]+ 297.06171 165.4
[M+HCOO]- 359.06265 192.3
[M+CH3COO]- 373.07830 185.7
[M+Na-2H]- 335.03912 176.1
[M]+ 314.06390 180.0
[M]- 314.06500 180.0
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.