CID 490687

N-ethyl-n'-[[(1s,2s)-2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine

Structural Information

Molecular Formula
C18H40N4
SMILES
CCNCCCCNC[C@H]1CC[C@@H]1CNCCCCNCC
InChI
InChI=1S/C18H40N4/c1-3-19-11-5-7-13-21-15-17-9-10-18(17)16-22-14-8-6-12-20-4-2/h17-22H,3-16H2,1-2H3/t17-,18-/m1/s1
InChIKey
YKLZLOYSULJBBB-QZTJIDSGSA-N
Compound name
N-ethyl-N'-[[(1S,2S)-2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.3253 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.33258 186.1
[M+Na]+ 335.31452 183.3
[M-H]- 311.31802 186.9
[M+NH4]+ 330.35912 192.9
[M+K]+ 351.28846 183.6
[M+H-H2O]+ 295.32256 170.8
[M+HCOO]- 357.32350 207.5
[M+CH3COO]- 371.33915 224.5
[M+Na-2H]- 333.29997 186.2
[M]+ 312.32475 194.2
[M]- 312.32585 194.2
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.