CID 469977

Guanidine, n,n'''-1,2-ethanediylbis[n''-methyl-n-(1-methylpropyl)-

Structural Information

Molecular Formula
C14H32N6
SMILES
CCC(C)N(CCN(C(C)CC)C(=NC)N)C(=NC)N
InChI
InChI=1S/C14H32N6/c1-7-11(3)19(13(15)17-5)9-10-20(12(4)8-2)14(16)18-6/h11-12H,7-10H2,1-6H3,(H2,15,17)(H2,16,18)
InChIKey
YNQBUEAJDCWEBM-UHFFFAOYSA-N
Compound name
1-butan-2-yl-1-[2-[butan-2-yl-(N'-methylcarbamimidoyl)amino]ethyl]-2-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.26886 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.27614 180.3
[M+Na]+ 307.25808 180.4
[M-H]- 283.26158 184.2
[M+NH4]+ 302.30268 196.2
[M+K]+ 323.23202 183.4
[M+H-H2O]+ 267.26612 171.1
[M+HCOO]- 329.26706 206.4
[M+CH3COO]- 343.28271 231.1
[M+Na-2H]- 305.24353 176.7
[M]+ 284.26831 179.6
[M]- 284.26941 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.