CID 20872

Benzamide, p-(3-amidinoguanidino)-n,n-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C11H16N6O
SMILES
CN(C)C(=O)C1=CC=C(C=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C11H16N6O/c1-17(2)9(18)7-3-5-8(6-4-7)15-11(14)16-10(12)13/h3-6H,1-2H3,(H6,12,13,14,15,16)
InChIKey
KQNFMIIVGRJZKI-UHFFFAOYSA-N
Compound name
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13857 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.145846 158.5
[M+Na]+ 271.127788 162.2
[M-H]- 247.131294 164.9
[M+NH4]+ 266.172393 174.8
[M+K]+ 287.101728 162.9
[M+H-H2O]+ 231.135830 149.6
[M+HCOO]- 293.136771 187.7
[M+CH3COO]- 307.152421 215.5
[M+Na-2H]- 269.113236 160.0
[M]+ 248.13802142 154.1
[M]- 248.13911858 154.1
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.