CID 167721899

[2-(3,6-diamino-9h-carbazol-9-yl)ethyl]phosphonic acid dihydrochloride

Structural Information

Molecular Formula
C14H16N3O3P
SMILES
C1=CC2=C(C=C1N)C3=C(N2CCP(=O)(O)O)C=CC(=C3)N
InChI
InChI=1S/C14H16N3O3P/c15-9-1-3-13-11(7-9)12-8-10(16)2-4-14(12)17(13)5-6-21(18,19)20/h1-4,7-8H,5-6,15-16H2,(H2,18,19,20)
InChIKey
DXJWFNRFXBOOIS-UHFFFAOYSA-N
Compound name
2-(3,6-diaminocarbazol-9-yl)ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09293 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10021 169.1
[M+Na]+ 328.08215 178.0
[M-H]- 304.08565 169.6
[M+NH4]+ 323.12675 185.0
[M+K]+ 344.05609 173.2
[M+H-H2O]+ 288.09019 160.5
[M+HCOO]- 350.09113 194.0
[M+CH3COO]- 364.10678 205.9
[M+Na-2H]- 326.06760 171.7
[M]+ 305.09238 169.3
[M]- 305.09348 169.3
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

No patent data available for this compound.