CID 47147

64058-22-6

Structural Information

Molecular Formula
C19H30N2O
SMILES
CCCN=C(C(C1=CC=CC=C1)OCC)N2CCCCCC2
InChI
InChI=1S/C19H30N2O/c1-3-14-20-19(21-15-10-5-6-11-16-21)18(22-4-2)17-12-8-7-9-13-17/h7-9,12-13,18H,3-6,10-11,14-16H2,1-2H3
InChIKey
BAZJSTYFKLUZCJ-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-2-ethoxy-2-phenyl-N-propylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2358 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24308 173.5
[M+Na]+ 325.22502 173.0
[M-H]- 301.22852 178.9
[M+NH4]+ 320.26962 185.8
[M+K]+ 341.19896 174.9
[M+H-H2O]+ 285.23306 164.4
[M+HCOO]- 347.23400 191.0
[M+CH3COO]- 361.24965 209.8
[M+Na-2H]- 323.21047 174.2
[M]+ 302.23525 168.1
[M]- 302.23635 168.1
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.