CID 2762607

150810-69-8

Structural Information

Molecular Formula
C29H26N3O7
SMILES
CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)ON5C(=O)CCC5=O)C(=O)O
InChI
InChI=1S/C29H25N3O7/c1-30(2)17-6-9-20-23(14-17)38-24-15-18(31(3)4)7-10-21(24)27(20)22-13-16(5-8-19(22)28(35)36)29(37)39-32-25(33)11-12-26(32)34/h5-10,13-15H,11-12H2,1-4H3/p+1
InChIKey
PAOQTZWNYMMSEE-UHFFFAOYSA-O
Compound name
[9-[2-carboxy-5-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

463
Patents

528.17706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.18434 220.6
[M+Na]+ 551.16628 234.4
[M+NH4]+ 546.21088 225.5
[M+K]+ 567.14022 232.6
[M-H]- 527.16978 228.4
[M+Na-2H]- 549.15173 225.2
[M]+ 528.17651 224.8
[M]- 528.17761 224.8
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