CID 487176

Chembl41560

Structural Information

Molecular Formula
C24H48N4
SMILES
C1CC(C1)CNCCCNCC2CCCC(C2)CNCCCNCC3CCC3
InChI
InChI=1S/C24H48N4/c1-6-21(7-1)17-25-12-4-14-27-19-23-10-3-11-24(16-23)20-28-15-5-13-26-18-22-8-2-9-22/h21-28H,1-20H2
InChIKey
YNTWUPYVSHSWSG-UHFFFAOYSA-N
Compound name
N-(cyclobutylmethyl)-N'-[[3-[[3-(cyclobutylmethylamino)propylamino]methyl]cyclohexyl]methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.3879 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.39518 192.6
[M+Na]+ 415.37712 184.4
[M-H]- 391.38062 196.7
[M+NH4]+ 410.42172 188.9
[M+K]+ 431.35106 187.2
[M+H-H2O]+ 375.38516 170.7
[M+HCOO]- 437.38610 206.5
[M+CH3COO]- 451.40175 240.8
[M+Na-2H]- 413.36257 189.9
[M]+ 392.38735 201.4
[M]- 392.38845 201.4
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.