CID 3044235

2-chloro-4,5-dimethoxyphenylbiguanide

Structural Information

Molecular Formula
C10H14ClN5O2
SMILES
COC1=C(C=C(C(=C1)N(C(=N)N)C(=N)N)Cl)OC
InChI
InChI=1S/C10H14ClN5O2/c1-17-7-3-5(11)6(4-8(7)18-2)16(9(12)13)10(14)15/h3-4H,1-2H3,(H3,12,13)(H3,14,15)
InChIKey
KYLXXWGGZVNJTE-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-(2-chloro-4,5-dimethoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0836 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09088 160.6
[M+Na]+ 294.07282 167.8
[M+NH4]+ 289.11742 166.1
[M+K]+ 310.04676 164.7
[M-H]- 270.07632 163.2
[M+Na-2H]- 292.05827 164.0
[M]+ 271.08305 162.0
[M]- 271.08415 162.0
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.