CID 20979

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

Structural Information

Molecular Formula
C13H20N6O
SMILES
CCCCNC(=O)C1=CC=C(C=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C13H20N6O/c1-2-3-8-17-11(20)9-4-6-10(7-5-9)18-13(16)19-12(14)15/h4-7H,2-3,8H2,1H3,(H,17,20)(H6,14,15,16,18,19)
InChIKey
LPIAVTMMPROTGN-UHFFFAOYSA-N
Compound name
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16986 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17714 165.5
[M+Na]+ 299.15908 168.2
[M-H]- 275.16258 170.0
[M+NH4]+ 294.20368 180.0
[M+K]+ 315.13302 167.0
[M+H-H2O]+ 259.16712 156.3
[M+HCOO]- 321.16806 193.6
[M+CH3COO]- 335.18371 218.3
[M+Na-2H]- 297.14453 166.9
[M]+ 276.16931 160.5
[M]- 276.17041 160.5
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.