CID 3526

Iminoctadine

Structural Information

Molecular Formula

C₁₈H₄₁N₇

SMILES

C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N

InChI

InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)

InChIKey

RONFGUROBZGJKP-UHFFFAOYSA-N

Compound name

2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 26
References: 29380
Patents: 355.34235 Da
Monoisotopic Mass: 1.7
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]+	356.34963	192.6
[M+Na]+	378.33157	192.0
[M+NH4]+	373.37617	195.4
[M+K]+	394.30551	187.1
[M-H]-	354.33507	193.5
[M+Na-2H]-	376.31702	190.8
[M]+	355.34180	191.6
[M]-	355.34290	191.6

Literature stripe

literature stripe

Patent stripe

patents stripe