CID 65190

Rhodamine s extra

Structural Information

Molecular Formula
C20H23N2O3
SMILES
CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)CCC(=O)O
InChI
InChI=1S/C20H22N2O3/c1-21(2)13-5-7-16-15(9-10-20(23)24)17-8-6-14(22(3)4)12-19(17)25-18(16)11-13/h5-8,11-12H,9-10H2,1-4H3/p+1
InChIKey
IRTCUNFIWXBVHH-UHFFFAOYSA-O
Compound name
[9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

339.17087 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17815 178.1
[M+Na]+ 362.16009 193.3
[M+NH4]+ 357.20469 186.9
[M+K]+ 378.13403 187.4
[M-H]- 338.16359 185.3
[M+Na-2H]- 360.14554 184.0
[M]+ 339.17032 182.7
[M]- 339.17142 182.7
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