CID 472214

Chembl65650

Structural Information

Molecular Formula
C10H14N3O4P
SMILES
C1=CC(=C2C(=C1)N(C=N2)CCOCP(=O)(O)O)N
InChI
InChI=1S/C10H14N3O4P/c11-8-2-1-3-9-10(8)12-6-13(9)4-5-17-7-18(14,15)16/h1-3,6H,4-5,7,11H2,(H2,14,15,16)
InChIKey
UQGSJGFBQCCINH-UHFFFAOYSA-N
Compound name
2-(4-aminobenzimidazol-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.0722 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07948 159.1
[M+Na]+ 294.06142 167.4
[M-H]- 270.06492 157.4
[M+NH4]+ 289.10602 174.2
[M+K]+ 310.03536 164.6
[M+H-H2O]+ 254.06946 149.8
[M+HCOO]- 316.07040 184.3
[M+CH3COO]- 330.08605 193.6
[M+Na-2H]- 292.04687 162.7
[M]+ 271.07165 161.8
[M]- 271.07275 161.8
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

No patent data available for this compound.