CID 35693

2-(aminoethylguanidinoethylguanidino)pyridine sulfate

Structural Information

Molecular Formula
C11H20N8
SMILES
C1=CC=NC(=C1)NC(=NCCNC(=NCCN)N)N
InChI
InChI=1S/C11H20N8/c12-4-6-16-10(13)17-7-8-18-11(14)19-9-3-1-2-5-15-9/h1-3,5H,4,6-8,12H2,(H3,13,16,17)(H3,14,15,18,19)
InChIKey
YCEFHLALHVJSMK-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-1-[2-[[amino-(pyridin-2-ylamino)methylidene]amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1811 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.18838 156.3
[M+Na]+ 287.17032 158.2
[M-H]- 263.17382 159.5
[M+NH4]+ 282.21492 169.6
[M+K]+ 303.14426 157.0
[M+H-H2O]+ 247.17836 146.1
[M+HCOO]- 309.17930 185.4
[M+CH3COO]- 323.19495 216.9
[M+Na-2H]- 285.15577 162.0
[M]+ 264.18055 150.2
[M]- 264.18165 150.2
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.