CID 6476690

Chembl128765

Structural Information

Molecular Formula
C16H34N4
SMILES
CCNCCCCNC/C=C\CNC/C=C\CNCC
InChI
InChI=1S/C16H34N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h5,7,9-10,17-20H,3-4,6,8,11-16H2,1-2H3/b7-5-,10-9-
InChIKey
VJMRSSNASGXTNM-XGOROQTFSA-N
Compound name
N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

282.27835 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.28563 172.9
[M+Na]+ 305.26757 173.1
[M-H]- 281.27107 171.1
[M+NH4]+ 300.31217 187.5
[M+K]+ 321.24151 169.2
[M+H-H2O]+ 265.27561 164.7
[M+HCOO]- 327.27655 197.8
[M+CH3COO]- 341.29220 214.3
[M+Na-2H]- 303.25302 175.9
[M]+ 282.27780 173.1
[M]- 282.27890 173.1
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.