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

20
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 182.2
[M+Na]+ 362.16009 188.9
[M-H]- 338.16359 189.8
[M+NH4]+ 357.20469 196.3
[M+K]+ 378.13403 181.7
[M+H-H2O]+ 322.16813 176.4
[M+HCOO]- 384.16907 202.5
[M+CH3COO]- 398.18472 216.2
[M+Na-2H]- 360.14554 188.7
[M]+ 339.17032 185.5
[M]- 339.17142 185.5
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