CID 106307

67990-11-8

Structural Information

Molecular Formula
C19H21N2O
SMILES
CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)C=CNC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O/c1-4-21-17-12-14(2)15(3)13-18(17)22-19(21)10-11-20-16-8-6-5-7-9-16/h5-13H,4H2,1-3H3/p+1
InChIKey
MZKPGLRNVVDEIX-UHFFFAOYSA-O
Compound name
N-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16537 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17265 168.6
[M+Na]+ 316.15459 186.5
[M+NH4]+ 311.19919 178.4
[M+K]+ 332.12853 179.8
[M-H]- 292.15809 177.0
[M+Na-2H]- 314.14004 177.7
[M]+ 293.16482 174.1
[M]- 293.16592 174.1
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.