CID 139596237

Dtxsid701027456

Structural Information

Molecular Formula
C18H41N7
SMILES
C(CCCCN(CCCCCCCCN=C(N)N)C(=N)N)CCCN
InChI
InChI=1S/C18H41N7/c19-13-9-5-1-3-7-11-15-25(18(22)23)16-12-8-4-2-6-10-14-24-17(20)21/h1-16,19H2,(H3,22,23)(H4,20,21,24)
InChIKey
NJASWEVIQZJUOK-UHFFFAOYSA-N
Compound name
1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

355.34235 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.349626 190.4
[M+Na]+ 378.331568 187.7
[M-H]- 354.335074 189.4
[M+NH4]+ 373.376173 201.2
[M+K]+ 394.305508 186.4
[M+H-H2O]+ 338.339610 180.0
[M+HCOO]- 400.340551 215.0
[M+CH3COO]- 414.356201 241.1
[M+Na-2H]- 376.317016 186.7
[M]+ 355.34180142 186.8
[M]- 355.34289858 186.8
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.