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

33
Patents

241.07304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.080316 153.6
[M+Na]+ 264.062258 159.5
[M-H]- 240.065764 158.5
[M+NH4]+ 259.106863 170.9
[M+K]+ 280.036198 156.8
[M+H-H2O]+ 224.070300 146.5
[M+HCOO]- 286.071241 178.4
[M+CH3COO]- 300.086891 205.0
[M+Na-2H]- 262.047706 157.1
[M]+ 241.07249142 151.5
[M]- 241.07358858 151.5
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