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 162.4
[M+Na]+ 294.07282 168.8
[M-H]- 270.07632 167.1
[M+NH4]+ 289.11742 178.4
[M+K]+ 310.04676 166.8
[M+H-H2O]+ 254.08086 155.8
[M+HCOO]- 316.08180 185.2
[M+CH3COO]- 330.09745 212.7
[M+Na-2H]- 292.05827 163.2
[M]+ 271.08305 161.5
[M]- 271.08415 161.5
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

No patent data available for this compound.