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 177.4
[M+Na]+ 338.13897 186.5
[M-H]- 314.14247 185.8
[M+NH4]+ 333.18357 192.5
[M+K]+ 354.11291 174.9
[M+H-H2O]+ 298.14701 171.0
[M+HCOO]- 360.14795 199.7
[M+CH3COO]- 374.16360 203.0
[M+Na-2H]- 336.12442 186.7
[M]+ 315.14920 179.5
[M]- 315.15030 179.5
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.