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
3
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 193.8
[M+Na]+ 378.33157 192.8
[M+NH4]+ 373.37617 196.4
[M+K]+ 394.30551 188.7
[M-H]- 354.33507 194.4
[M+Na-2H]- 376.31702 191.6
[M]+ 355.34180 192.6
[M]- 355.34290 192.6
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.