CID 58359

C 4800

Structural Information

Molecular Formula
C15H26N2O
SMILES
CCN(CC)CCN(C)CCOC1=CC=CC=C1
InChI
InChI=1S/C15H26N2O/c1-4-17(5-2)12-11-16(3)13-14-18-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3
InChIKey
DNOXYEKJNPEEKH-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-methyl-N-(2-phenoxyethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.20451 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21179 163.7
[M+Na]+ 273.19373 167.0
[M-H]- 249.19723 168.8
[M+NH4]+ 268.23833 181.4
[M+K]+ 289.16767 166.8
[M+H-H2O]+ 233.20177 155.3
[M+HCOO]- 295.20271 189.4
[M+CH3COO]- 309.21836 208.2
[M+Na-2H]- 271.17918 167.5
[M]+ 250.20396 168.2
[M]- 250.20506 168.2
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.