CID 65206

Rhodamine 19

Structural Information

Molecular Formula
C26H26N2O3
SMILES
CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=CC=CC=C4C(=O)O
InChI
InChI=1S/C26H26N2O3/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23/h7-14,27H,5-6H2,1-4H3,(H,29,30)
InChIKey
ZTKQHJHANLVEBM-UHFFFAOYSA-N
Compound name
2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1579
Patents

414.19434 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.201616 204.8
[M+Na]+ 437.183558 213.2
[M-H]- 413.187064 214.3
[M+NH4]+ 432.228163 215.7
[M+K]+ 453.157498 208.5
[M+H-H2O]+ 397.191600 194.5
[M+HCOO]- 459.192541 224.9
[M+CH3COO]- 473.208191 237.3
[M+Na-2H]- 435.169006 207.7
[M]+ 414.19379142 209.3
[M]- 414.19488858 209.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe