CID 490691

Chembl131526

Structural Information

Molecular Formula
C20H38N4
SMILES
CCNCCCCNCC1=CC=CC=C1CNCCCCNCC
InChI
InChI=1S/C20H38N4/c1-3-21-13-7-9-15-23-17-19-11-5-6-12-20(19)18-24-16-10-8-14-22-4-2/h5-6,11-12,21-24H,3-4,7-10,13-18H2,1-2H3
InChIKey
YLQSUTNACVUCFM-UHFFFAOYSA-N
Compound name
N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]phenyl]methyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

334.30966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.31694 184.7
[M+Na]+ 357.29888 184.8
[M-H]- 333.30238 186.1
[M+NH4]+ 352.34348 197.2
[M+K]+ 373.27282 180.3
[M+H-H2O]+ 317.30692 175.3
[M+HCOO]- 379.30786 209.6
[M+CH3COO]- 393.32351 225.7
[M+Na-2H]- 355.28433 187.9
[M]+ 334.30911 186.0
[M]- 334.31021 186.0
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.