CID 6476695

Chembl134384

Structural Information

Molecular Formula
C20H43N5
SMILES
CCNCCCCNCCCCNC/C=C\CNC/C=C\CNCC
InChI
InChI=1S/C20H43N5/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/h5,7,9,11,21-25H,3-4,6,8,10,12-20H2,1-2H3/b7-5-,11-9-
InChIKey
RBPUYTUKGAKHHC-CXHWBCNXSA-N
Compound name
N-ethyl-N'-[4-[[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]amino]butyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

353.35184 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.35912 190.0
[M+Na]+ 376.34106 187.7
[M-H]- 352.34456 187.5
[M+NH4]+ 371.38566 201.4
[M+K]+ 392.31500 183.1
[M+H-H2O]+ 336.34910 180.5
[M+HCOO]- 398.35004 214.5
[M+CH3COO]- 412.36569 231.5
[M+Na-2H]- 374.32651 191.6
[M]+ 353.35129 190.9
[M]- 353.35239 190.9
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