CID 6476692

Chembl133869

Structural Information

Molecular Formula
C20H45N5
SMILES
CCNCCCCNCCCCNC/C=C\CNCCCCNCC
InChI
InChI=1S/C20H45N5/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2/h9,11,21-25H,3-8,10,12-20H2,1-2H3/b11-9-
InChIKey
FUSCGNOYRMIJDE-LUAWRHEFSA-N
Compound name
N-ethyl-N'-[4-[[(Z)-4-[4-(ethylamino)butylamino]but-2-enyl]amino]butyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

355.3675 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.37478 190.7
[M+Na]+ 378.35672 188.1
[M-H]- 354.36022 188.1
[M+NH4]+ 373.40132 202.0
[M+K]+ 394.33066 184.1
[M+H-H2O]+ 338.36476 181.1
[M+HCOO]- 400.36570 215.0
[M+CH3COO]- 414.38135 233.0
[M+Na-2H]- 376.34217 192.4
[M]+ 355.36695 192.4
[M]- 355.36805 192.4
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