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]+ 249.145846 156.9
[M+Na]+ 271.127788 160.4
[M-H]- 247.131294 161.8
[M+NH4]+ 266.172393 172.5
[M+K]+ 287.101728 159.6
[M+H-H2O]+ 231.135830 148.0
[M+HCOO]- 293.136771 185.6
[M+CH3COO]- 307.152421 212.3
[M+Na-2H]- 269.113236 159.2
[M]+ 248.13802142 151.2
[M]- 248.13911858 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.