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: 27
Patents: 284.26886 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.27614	171.1
[M+Na]+	307.25808	171.0
[M-H]-	283.26158	170.6
[M+NH4]+	302.30268	185.0
[M+K]+	323.23202	169.5
[M+H-H2O]+	267.26612	161.8
[M+HCOO]-	329.26706	197.0
[M+CH3COO]-	343.28271	223.1
[M+Na-2H]-	305.24353	170.0
[M]+	284.26831	167.3
[M]-	284.26941	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe