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

literature stripe

Patent stripe

patents stripe