CID 2762603

5-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=C(C=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)17-8-5-14(24(28)29)11-20(17)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)/p+1
InChIKey
YMZMTOFQCVHHFB-UHFFFAOYSA-O
Compound name
[9-(2,4-dicarboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

5751
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

literature stripe

Patent stripe

patents stripe