CID 2762686

174568-68-4

Structural Information

Molecular Formula
C28H24N3O5
SMILES
CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC=C4N5C(=O)C=CC5=O)C(=O)O
InChI
InChI=1S/C28H23N3O5/c1-29(2)16-8-10-18-22(14-16)36-23-15-17(30(3)4)9-11-19(23)26(18)27-20(28(34)35)6-5-7-21(27)31-24(32)12-13-25(31)33/h5-15H,1-4H3/p+1
InChIKey
SHKRXDBVQOSKJN-UHFFFAOYSA-O
Compound name
[9-[2-carboxy-6-(2,5-dioxopyrrol-1-yl)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1716 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.17888 213.6
[M+Na]+ 505.16082 229.9
[M+NH4]+ 500.20542 220.2
[M+K]+ 521.13476 226.0
[M-H]- 481.16432 223.0
[M+Na-2H]- 503.14627 220.2
[M]+ 482.17105 218.9
[M]- 482.17215 218.9
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.