CID 89999256

N1,n6-bis[2,2-dimethyl-3-(4-morpholinyl)propylidene]-1,6-hexanediamine

Structural Information

Molecular Formula
C24H46N4O2
SMILES
CC(C)(CN1CCOCC1)C=NCCCCCCN=CC(C)(C)CN2CCOCC2
InChI
InChI=1S/C24H46N4O2/c1-23(2,21-27-11-15-29-16-12-27)19-25-9-7-5-6-8-10-26-20-24(3,4)22-28-13-17-30-18-14-28/h19-20H,5-18,21-22H2,1-4H3
InChIKey
BVUYTWFHWBDUQZ-UHFFFAOYSA-N
Compound name
N-[6-[(2,2-dimethyl-3-morpholin-4-ylpropylidene)amino]hexyl]-2,2-dimethyl-3-morpholin-4-ylpropan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

422.3621 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.36938 213.2
[M+Na]+ 445.35132 210.0
[M-H]- 421.35482 216.8
[M+NH4]+ 440.39592 217.7
[M+K]+ 461.32526 209.1
[M+H-H2O]+ 405.35936 201.7
[M+HCOO]- 467.36030 223.6
[M+CH3COO]- 481.37595 236.7
[M+Na-2H]- 443.33677 215.2
[M]+ 422.36155 211.9
[M]- 422.36265 211.9
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

patents stripe