CID 52328

1-(m-boronophenyl)biguanide hydrochloride

Structural Information

Molecular Formula
C8H12BN5O2
SMILES
B(C1=CC(=CC=C1)N=C(N)N=C(N)N)(O)O
InChI
InChI=1S/C8H12BN5O2/c10-7(11)14-8(12)13-6-3-1-2-5(4-6)9(15)16/h1-4,15-16H,(H6,10,11,12,13,14)
InChIKey
BLIPVIOIJNSGIB-UHFFFAOYSA-N
Compound name
[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1084 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11568 148.7
[M+Na]+ 244.09762 153.7
[M+NH4]+ 239.14222 153.6
[M+K]+ 260.07156 152.0
[M-H]- 220.10112 150.4
[M+Na-2H]- 242.08307 151.7
[M]+ 221.10785 149.0
[M]- 221.10895 149.0
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.