CID 170946558

(indolo[2,3-a]carbazole-11,12-diylbis(propane-3,1-diyl))bis(phosphonic acid)

Structural Information

Molecular Formula
C24H26N2O6P2
SMILES
C1=CC=C2C(=C1)C3=C(N2CCCP(=O)(O)O)C4=C(C=C3)C5=CC=CC=C5N4CCCP(=O)(O)O
InChI
InChI=1S/C24H26N2O6P2/c27-33(28,29)15-5-13-25-21-9-3-1-7-17(21)19-11-12-20-18-8-2-4-10-22(18)26(24(20)23(19)25)14-6-16-34(30,31)32/h1-4,7-12H,5-6,13-16H2,(H2,27,28,29)(H2,30,31,32)
InChIKey
BCZCAJAWWRDZIE-UHFFFAOYSA-N
Compound name
3-[12-(3-phosphonopropyl)indolo[2,3-a]carbazol-11-yl]propylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.12662 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.13390 224.4
[M+Na]+ 523.11584 230.9
[M-H]- 499.11934 223.2
[M+NH4]+ 518.16044 233.7
[M+K]+ 539.08978 226.6
[M+H-H2O]+ 483.12388 212.7
[M+HCOO]- 545.12482 245.8
[M+CH3COO]- 559.14047 234.3
[M+Na-2H]- 521.10129 224.2
[M]+ 500.12607 231.0
[M]- 500.12717 231.0
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

No patent data available for this compound.