CID 44991

Hexadecanediguanidine dihydrochloride

Structural Information

Molecular Formula
C18H40N6
SMILES
C(CCCCCCCCN=C(N)N)CCCCCCCN=C(N)N
InChI
InChI=1S/C18H40N6/c19-17(20)23-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-24-18(21)22/h1-16H2,(H4,19,20,23)(H4,21,22,24)
InChIKey
VJKDNPJAEKEOSN-UHFFFAOYSA-N
Compound name
2-[16-(diaminomethylideneamino)hexadecyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.33145 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.33873 187.5
[M+Na]+ 363.32067 185.8
[M-H]- 339.32417 186.3
[M+NH4]+ 358.36527 199.3
[M+K]+ 379.29461 183.4
[M+H-H2O]+ 323.32871 177.6
[M+HCOO]- 385.32965 212.2
[M+CH3COO]- 399.34530 235.0
[M+Na-2H]- 361.30612 184.6
[M]+ 340.33090 185.3
[M]- 340.33200 185.3
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.