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

53
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 153.6
[M+Na]+ 264.06226 159.5
[M-H]- 240.06576 158.5
[M+NH4]+ 259.10686 170.9
[M+K]+ 280.03620 156.8
[M+H-H2O]+ 224.07030 146.5
[M+HCOO]- 286.07124 178.4
[M+CH3COO]- 300.08689 205.0
[M+Na-2H]- 262.04771 157.1
[M]+ 241.07249 151.5
[M]- 241.07359 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