CID 202138

7550-11-0

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCOC(=O)C(C1=CC=C(C=C1)C)N2CCCN(CC2)C
InChI
InChI=1S/C17H26N2O2/c1-4-21-17(20)16(15-8-6-14(2)7-9-15)19-11-5-10-18(3)12-13-19/h6-9,16H,4-5,10-13H2,1-3H3
InChIKey
HYRVBWFGKCMEPY-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-(4-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 169.3
[M+Na]+ 313.18865 178.4
[M+NH4]+ 308.23325 175.1
[M+K]+ 329.16259 174.1
[M-H]- 289.19215 171.0
[M+Na-2H]- 311.17410 174.2
[M]+ 290.19888 170.9
[M]- 290.19998 170.9
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.