CID 20876

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

Structural Information

Molecular Formula
C13H20N6O
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C13H20N6O/c1-3-19(4-2)11(20)9-5-7-10(8-6-9)17-13(16)18-12(14)15/h5-8H,3-4H2,1-2H3,(H6,14,15,16,17,18)
InChIKey
YXQHTGRXRPQYIE-UHFFFAOYSA-N
Compound name
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16986 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17714 167.9
[M+Na]+ 299.15908 172.6
[M+NH4]+ 294.20368 172.8
[M+K]+ 315.13302 169.5
[M-H]- 275.16258 171.3
[M+Na-2H]- 297.14453 171.3
[M]+ 276.16931 168.7
[M]- 276.17041 168.7
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.