CID 44998

Octadecanediguanidine dihydrochloride

Structural Information

Molecular Formula
C20H44N6
SMILES
C(CCCCCCCCCN=C(N)N)CCCCCCCCN=C(N)N
InChI
InChI=1S/C20H44N6/c21-19(22)25-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26-20(23)24/h1-18H2,(H4,21,22,25)(H4,23,24,26)
InChIKey
DVOIOANJBLQIIV-UHFFFAOYSA-N
Compound name
2-[18-(diaminomethylideneamino)octadecyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.36273 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37001 198.7
[M+Na]+ 391.35195 198.9
[M+NH4]+ 386.39655 201.7
[M+K]+ 407.32589 193.1
[M-H]- 367.35545 199.4
[M+Na-2H]- 389.33740 196.7
[M]+ 368.36218 197.9
[M]- 368.36328 197.9
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.