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]+ 356.34963 190.4
[M+Na]+ 378.33157 187.7
[M-H]- 354.33507 189.4
[M+NH4]+ 373.37617 201.2
[M+K]+ 394.30551 186.4
[M+H-H2O]+ 338.33961 180.0
[M+HCOO]- 400.34055 215.0
[M+CH3COO]- 414.35620 241.1
[M+Na-2H]- 376.31702 186.7
[M]+ 355.34180 186.8
[M]- 355.34290 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.