CID 43558

Synthalin b

Structural Information

Molecular Formula
C14H32N6
SMILES
C(CCCCCCN=C(N)N)CCCCCN=C(N)N
InChI
InChI=1S/C14H32N6/c15-13(16)19-11-9-7-5-3-1-2-4-6-8-10-12-20-14(17)18/h1-12H2,(H4,15,16,19)(H4,17,18,20)
InChIKey
ZIZFGSKWOGWBOO-UHFFFAOYSA-N
Compound name
2-[12-(diaminomethylideneamino)dodecyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

26
Patents

284.26886 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.27614 173.5
[M+Na]+ 307.25808 174.9
[M+NH4]+ 302.30268 177.5
[M+K]+ 323.23202 170.5
[M-H]- 283.26158 174.4
[M+Na-2H]- 305.24353 172.9
[M]+ 284.26831 172.9
[M]- 284.26941 172.9
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

patents stripe