CID 9570930

4-chlorobenzyloxybiguanide

Structural Information

Molecular Formula
C9H12ClN5O
SMILES
C1=CC(=CC=C1CO/N=C(\N)/N=C(N)N)Cl
InChI
InChI=1S/C9H12ClN5O/c10-7-3-1-6(2-4-7)5-16-15-9(13)14-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
InChIKey
CSHFMVWINHMKQU-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methoxy]-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

241.07304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08032 152.4
[M+Na]+ 264.06226 160.2
[M+NH4]+ 259.10686 159.0
[M+K]+ 280.03620 155.5
[M-H]- 240.06576 156.0
[M+Na-2H]- 262.04771 157.5
[M]+ 241.07249 154.2
[M]- 241.07359 154.2
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