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]+ 249.14585 158.5
[M+Na]+ 271.12779 162.2
[M-H]- 247.13129 164.9
[M+NH4]+ 266.17239 174.8
[M+K]+ 287.10173 162.9
[M+H-H2O]+ 231.13583 149.6
[M+HCOO]- 293.13677 187.7
[M+CH3COO]- 307.15242 215.5
[M+Na-2H]- 269.11324 160.0
[M]+ 248.13802 154.1
[M]- 248.13912 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.