CID 14030740

Dtxsid601027453

Structural Information

Molecular Formula

C₁₉H₄₃N₉

SMILES

C(CCCCN(CCCCCCCCN=C(N)N)C(=N)N)CCCN=C(N)N

InChI

InChI=1S/C19H43N9/c20-17(21)26-13-9-5-1-3-7-11-15-28(19(24)25)16-12-8-4-2-6-10-14-27-18(22)23/h1-16H2,(H3,24,25)(H4,20,21,26)(H4,22,23,27)

InChIKey

HHILOXKTRBXPNQ-UHFFFAOYSA-N

Compound name

1,1-bis[8-(diaminomethylideneamino)octyl]guanidine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 0
Patents: 397.36414 Da
Monoisotopic Mass: 1.2
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]+	398.371416	196.8
[M+Na]+	420.353358	192.9
[M-H]-	396.356864	196.8
[M+NH4]+	415.397963	226.2
[M+K]+	436.327298	193.0
[M+H-H2O]+	380.361400	185.2
[M+HCOO]-	442.362341	223.0
[M+CH3COO]-	456.377991	255.6
[M+Na-2H]-	418.338806	192.1
[M]+	397.36359142	191.5
[M]-	397.36468858	191.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.