CID 2762605

6-carboxytetramethylrhodamine

Structural Information

Molecular Formula
C25H23N2O5
SMILES
CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)O)C(=O)O
InChI
InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)20-11-14(24(28)29)5-8-17(20)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)/p+1
InChIKey
COCMHKNAGZHBDZ-UHFFFAOYSA-O
Compound name
[9-(2,5-dicarboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

6477
Patents

431.1607 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16798 200.0
[M+Na]+ 454.14992 215.7
[M+NH4]+ 449.19452 207.1
[M+K]+ 470.12386 210.7
[M-H]- 430.15342 208.1
[M+Na-2H]- 452.13537 206.3
[M]+ 431.16015 204.9
[M]- 431.16125 204.9
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