CID 16727458

N,n'-bis[1-(phenoxymethyl)propyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CCC(COC1=CC=CC=C1)NCCNC(CC)COC2=CC=CC=C2
InChI
InChI=1S/C22H32N2O2/c1-3-19(17-25-21-11-7-5-8-12-21)23-15-16-24-20(4-2)18-26-22-13-9-6-10-14-22/h5-14,19-20,23-24H,3-4,15-18H2,1-2H3
InChIKey
JTXIUFWTPVPSDT-UHFFFAOYSA-N
Compound name
N,N'-bis(1-phenoxybutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.24637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 190.3
[M+Na]+ 379.23559 190.7
[M-H]- 355.23909 194.8
[M+NH4]+ 374.28019 201.5
[M+K]+ 395.20953 187.1
[M+H-H2O]+ 339.24363 180.2
[M+HCOO]- 401.24457 212.3
[M+CH3COO]- 415.26022 221.5
[M+Na-2H]- 377.22104 192.4
[M]+ 356.24582 192.2
[M]- 356.24692 192.2
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

No patent data available for this compound.