CID 9572056

Chembl131074

Structural Information

Molecular Formula
C10H14ClN5
SMILES
CN(C)/C(=N/C(=NC1=CC(=CC=C1)Cl)N)/N
InChI
InChI=1S/C10H14ClN5/c1-16(2)10(13)15-9(12)14-8-5-3-4-7(11)6-8/h3-6H,1-2H3,(H4,12,13,14,15)
InChIKey
OBJLHWGJUFOUGZ-UHFFFAOYSA-N
Compound name
2-[N'-(3-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.09378 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10106 157.4
[M+Na]+ 262.08300 163.2
[M-H]- 238.08650 164.2
[M+NH4]+ 257.12760 175.9
[M+K]+ 278.05694 161.4
[M+H-H2O]+ 222.09104 150.2
[M+HCOO]- 284.09198 182.7
[M+CH3COO]- 298.10763 208.9
[M+Na-2H]- 260.06845 160.5
[M]+ 239.09323 156.5
[M]- 239.09433 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.