CID 103174

Dtxsid80886728

Structural Information

Molecular Formula
C29H25N2O2
SMILES
CCN1C2=C(C3=CC=CC=C3C=C2)OC1=CC=CC4=[N+](C5=C(O4)C6=CC=CC=C6C=C5)CC
InChI
InChI=1S/C29H25N2O2/c1-3-30-24-18-16-20-10-5-7-12-22(20)28(24)32-26(30)14-9-15-27-31(4-2)25-19-17-21-11-6-8-13-23(21)29(25)33-27/h5-19H,3-4H2,1-2H3/q+1
InChIKey
JSWDDPBHASLENG-UHFFFAOYSA-N
Compound name
3-ethyl-2-[3-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)prop-2-enylidene]benzo[g][1,3]benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1916 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19888 213.6
[M+Na]+ 456.18082 224.6
[M-H]- 432.18432 223.6
[M+NH4]+ 451.22542 225.2
[M+K]+ 472.15476 211.9
[M+H-H2O]+ 416.18886 206.1
[M+HCOO]- 478.18980 229.5
[M+CH3COO]- 492.20545 222.9
[M+Na-2H]- 454.16627 216.7
[M]+ 433.19105 219.3
[M]- 433.19215 219.3
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.