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 195.6
[M+Na]+ 391.35195 193.1
[M-H]- 367.35545 194.0
[M+NH4]+ 386.39655 206.3
[M+K]+ 407.32589 190.3
[M+H-H2O]+ 351.35999 185.3
[M+HCOO]- 413.36093 219.7
[M+CH3COO]- 427.37658 240.9
[M+Na-2H]- 389.33740 191.8
[M]+ 368.36218 194.1
[M]- 368.36328 194.1
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.