CID 111748

68912-02-7

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

474
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 160.5
[M+Na]+ 279.13422 167.4
[M-H]- 255.13772 168.9
[M+NH4]+ 274.17882 176.5
[M+K]+ 295.10816 159.7
[M+H-H2O]+ 239.14226 153.7
[M+HCOO]- 301.14320 187.3
[M+CH3COO]- 315.15885 199.4
[M+Na-2H]- 277.11967 169.3
[M]+ 256.14445 162.2
[M]- 256.14555 162.2
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