CID 111748

Dtxsid5071834

Structural Information

Molecular Formula
C15H18N3O
SMILES
C[N+]1=CC=C(C=C1)C=NN(C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H18N3O/c1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14/h4-12H,1-3H3/q+1
InChIKey
SMESAHFVSAHRQM-UHFFFAOYSA-N
Compound name
4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

225
Patents

256.145 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15228 157.7
[M+Na]+ 279.13422 173.8
[M+NH4]+ 274.17882 167.2
[M+K]+ 295.10816 166.4
[M-H]- 255.13772 165.4
[M+Na-2H]- 277.11967 169.0
[M]+ 256.14445 162.6
[M]- 256.14555 162.6
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

patents stripe