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 168.4
[M+Na]+ 302.13897 177.8
[M-H]- 278.14247 177.7
[M+NH4]+ 297.18357 185.0
[M+K]+ 318.11291 168.8
[M+H-H2O]+ 262.14701 162.7
[M+HCOO]- 324.14795 192.7
[M+CH3COO]- 338.16360 199.4
[M+Na-2H]- 300.12442 175.9
[M]+ 279.14920 172.0
[M]- 279.15030 172.0
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.