CID 62266

Basic violet 11:1

Structural Information

Molecular Formula
C29H33N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC
InChI
InChI=1S/C29H33N2O3/c1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5/h10-19H,6-9H2,1-5H3/q+1
InChIKey
CKMFJWCEQQYCLE-UHFFFAOYSA-N
Compound name
[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

457.2491 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.25638 213.9
[M+Na]+ 480.23832 230.8
[M+NH4]+ 475.28292 222.5
[M+K]+ 496.21226 222.1
[M-H]- 456.24182 224.1
[M+Na-2H]- 478.22377 221.6
[M]+ 457.24855 219.8
[M]- 457.24965 219.8
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