CID 123670

Rhod 2 fluorescent dye

Structural Information

Molecular Formula
C40H43N4O11
SMILES
CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C40H42N4O11/c1-24-6-12-30(43(20-36(45)46)21-37(47)48)34(16-24)53-14-15-54-35-17-25(7-13-31(35)44(22-38(49)50)23-39(51)52)40-28-10-8-26(41(2)3)18-32(28)55-33-19-27(42(4)5)9-11-29(33)40/h6-13,16-19H,14-15,20-23H2,1-5H3,(H3-,45,46,47,48,49,50,51,52)/p+1
InChIKey
AHLCOZWIHCUFTN-UHFFFAOYSA-O
Compound name
[9-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

107
References

3255
Patents

755.29285 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 756.30013 271.3
[M+Na]+ 778.28207 278.4
[M-H]- 754.28557 275.7
[M+NH4]+ 773.32667 277.3
[M+K]+ 794.25601 268.0
[M+H-H2O]+ 738.29011 255.6
[M+HCOO]- 800.29105 278.1
[M+CH3COO]- 814.30670 298.5
[M+Na-2H]- 776.26752 304.6
[M]+ 755.29230 323.3
[M]- 755.29340 323.3
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