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 205.4
[M+Na]+ 454.14992 211.3
[M-H]- 430.15342 214.9
[M+NH4]+ 449.19452 214.2
[M+K]+ 470.12386 204.2
[M+H-H2O]+ 414.15796 198.0
[M+HCOO]- 476.15890 222.7
[M+CH3COO]- 490.17455 232.1
[M+Na-2H]- 452.13537 209.0
[M]+ 431.16015 208.2
[M]- 431.16125 208.2
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