CID 105630

67800-93-5

Structural Information

Molecular Formula
C21H19N2O
SMILES
CC[N+]1=C(OC2=C1C3=CC=CC=C3C=C2)C=CNC4=CC=CC=C4
InChI
InChI=1S/C21H18N2O/c1-2-23-20(14-15-22-17-9-4-3-5-10-17)24-19-13-12-16-8-6-7-11-18(16)21(19)23/h3-15H,2H2,1H3/p+1
InChIKey
BZPLUWXNYXSIGU-UHFFFAOYSA-O
Compound name
N-[2-(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14975 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15703 173.0
[M+Na]+ 338.13897 192.1
[M+NH4]+ 333.18357 183.7
[M+K]+ 354.11291 184.2
[M-H]- 314.14247 182.5
[M+Na-2H]- 336.12442 183.1
[M]+ 315.14920 179.1
[M]- 315.15030 179.1
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.