CID 2735007

15185-43-0

Structural Information

Molecular Formula
C25H25N2O2
SMILES
CCN1C2=CC=CC=C2OC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CC
InChI
InChI=1S/C25H25N2O2/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25/h5-19H,3-4H2,1-2H3/q+1
InChIKey
YFMAIXBXQGUOBW-UHFFFAOYSA-N
Compound name
3-ethyl-2-[7-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

402
Patents

385.1916 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19888 194.5
[M+Na]+ 408.18082 211.2
[M+NH4]+ 403.22542 202.4
[M+K]+ 424.15476 205.8
[M-H]- 384.18432 201.7
[M+Na-2H]- 406.16627 199.0
[M]+ 385.19105 199.4
[M]- 385.19215 199.4
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

patents stripe