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

literature stripe

Patent stripe

patents stripe