CID 20874

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

Structural Information

Molecular Formula
C11H16N6O
SMILES
CCNC(=O)C1=CC=C(C=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C11H16N6O/c1-2-15-9(18)7-3-5-8(6-4-7)16-11(14)17-10(12)13/h3-6H,2H2,1H3,(H,15,18)(H6,12,13,14,16,17)
InChIKey
YKFZXSIDXPPYAL-UHFFFAOYSA-N
Compound name
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-ethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13857 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14585 156.9
[M+Na]+ 271.12779 160.4
[M-H]- 247.13129 161.8
[M+NH4]+ 266.17239 172.5
[M+K]+ 287.10173 159.6
[M+H-H2O]+ 231.13583 148.0
[M+HCOO]- 293.13677 185.6
[M+CH3COO]- 307.15242 212.3
[M+Na-2H]- 269.11324 159.2
[M]+ 248.13802 151.2
[M]- 248.13912 151.2
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.