CID 2762683

115532-52-0

Structural Information

Molecular Formula
C26H27N2O3
SMILES
CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C
InChI
InChI=1S/C26H27N2O3/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25/h7-16H,6H2,1-5H3/q+1
InChIKey
PQMJQYONVLIFOV-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1584
Patents

415.20218 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20946 200.1
[M+Na]+ 438.19140 217.7
[M+NH4]+ 433.23600 209.3
[M+K]+ 454.16534 209.8
[M-H]- 414.19490 210.4
[M+Na-2H]- 436.17685 208.7
[M]+ 415.20163 206.1
[M]- 415.20273 206.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe