CID 65222

Rhodamine 116

Structural Information

Molecular Formula
C22H18N2O3
SMILES
CNC1=CC2=C(C=C1)C(=C3C=CC(=NC)C=C3O2)C4=CC=CC=C4C(=O)O
InChI
InChI=1S/C22H18N2O3/c1-23-13-7-9-17-19(11-13)27-20-12-14(24-2)8-10-18(20)21(17)15-5-3-4-6-16(15)22(25)26/h3-12,23H,1-2H3,(H,25,26)
InChIKey
QCRIAIGCQBOVLG-UHFFFAOYSA-N
Compound name
2-[3-(methylamino)-6-methyliminoxanthen-9-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

180
Patents

358.13174 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13902 185.2
[M+Na]+ 381.12096 201.5
[M+NH4]+ 376.16556 193.5
[M+K]+ 397.09490 192.7
[M-H]- 357.12446 193.4
[M+Na-2H]- 379.10641 193.3
[M]+ 358.13119 190.0
[M]- 358.13229 190.0
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