CID 109460

Einecs 271-340-7

Structural Information

Molecular Formula
C25H43N3O2
SMILES
CC(C)CC(=NCCN(CCN=C(C)CC(C)C)CC(COC1=CC=CC=C1)O)C
InChI
InChI=1S/C25H43N3O2/c1-20(2)16-22(5)26-12-14-28(15-13-27-23(6)17-21(3)4)18-24(29)19-30-25-10-8-7-9-11-25/h7-11,20-21,24,29H,12-19H2,1-6H3
InChIKey
JSDNIAKHCKUYDD-UHFFFAOYSA-N
Compound name
1-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

417.33554 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.34282 211.3
[M+Na]+ 440.32476 216.1
[M+NH4]+ 435.36936 215.4
[M+K]+ 456.29870 210.7
[M-H]- 416.32826 212.9
[M+Na-2H]- 438.31021 212.8
[M]+ 417.33499 211.9
[M]- 417.33609 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

No patent data available for this compound.