CID 12429217

64872-13-5

Structural Information

Molecular Formula
C18H19N2O
SMILES
C[N+]1=C2C=CC=CC2=C(O1)/C=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C18H19N2O/c1-19(2)15-11-8-14(9-12-15)10-13-18-16-6-4-5-7-17(16)20(3)21-18/h4-13H,1-3H3/q+1
InChIKey
LDEMSNCCZCZHSS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(E)-2-(1-methyl-2,1-benzoxazol-1-ium-3-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14975 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15703 163.3
[M+Na]+ 302.13897 181.2
[M+NH4]+ 297.18357 173.5
[M+K]+ 318.11291 175.1
[M-H]- 278.14247 171.9
[M+Na-2H]- 300.12442 173.2
[M]+ 279.14920 168.9
[M]- 279.15030 168.9
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.