CID 9572294

Nsc710408

Structural Information

Molecular Formula
C18H18N2OS
SMILES
CN(CC1=CC=CC2=C1SC=C2)/N=C\C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H18N2OS/c1-20(19-12-14-6-8-17(21-2)9-7-14)13-16-5-3-4-15-10-11-22-18(15)16/h3-12H,13H2,1-2H3/b19-12-
InChIKey
LMJOLNDLTSJYTE-UNOMPAQXSA-N
Compound name
1-(1-benzothiophen-7-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.11398 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12126 172.0
[M+Na]+ 333.10320 180.8
[M-H]- 309.10670 182.9
[M+NH4]+ 328.14780 191.1
[M+K]+ 349.07714 176.5
[M+H-H2O]+ 293.11124 163.9
[M+HCOO]- 355.11218 196.4
[M+CH3COO]- 369.12783 185.1
[M+Na-2H]- 331.08865 176.0
[M]+ 310.11343 179.1
[M]- 310.11453 179.1
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.