CID 58360

Brn 3426604

Structural Information

Molecular Formula
C22H32N2O
SMILES
CCN(CC)CCNCCCC1=CC=C(C=C1)COC2=CC=CC=C2
InChI
InChI=1S/C22H32N2O/c1-3-24(4-2)18-17-23-16-8-9-20-12-14-21(15-13-20)19-25-22-10-6-5-7-11-22/h5-7,10-15,23H,3-4,8-9,16-19H2,1-2H3
InChIKey
GBPWSAIRIZPDSX-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[3-[4-(phenoxymethyl)phenyl]propyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.25146 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.25874 187.3
[M+Na]+ 363.24068 189.5
[M-H]- 339.24418 193.5
[M+NH4]+ 358.28528 200.3
[M+K]+ 379.21462 185.6
[M+H-H2O]+ 323.24872 177.2
[M+HCOO]- 385.24966 211.6
[M+CH3COO]- 399.26531 222.3
[M+Na-2H]- 361.22613 190.2
[M]+ 340.25091 190.6
[M]- 340.25201 190.6
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.