CID 105032

Dihydrorhodamine 123

Structural Information

Molecular Formula
C21H18N2O3
SMILES
COC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4)N
InChI
InChI=1S/C21H18N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,20H,22-23H2,1H3
InChIKey
FNEZBBILNYNQGC-UHFFFAOYSA-N
Compound name
methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

230
References

2941
Patents

346.13174 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13902 182.5
[M+Na]+ 369.12096 190.4
[M-H]- 345.12446 191.0
[M+NH4]+ 364.16556 195.3
[M+K]+ 385.09490 186.5
[M+H-H2O]+ 329.12900 173.2
[M+HCOO]- 391.12994 201.8
[M+CH3COO]- 405.14559 192.9
[M+Na-2H]- 367.10641 186.8
[M]+ 346.13119 182.2
[M]- 346.13229 182.2
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

No patent data available for this compound.