CID 47148

64058-23-7

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCCN=C(C(C1=CC=CC=C1)OC)N2CCCCCC2
InChI
InChI=1S/C18H28N2O/c1-3-13-19-18(20-14-9-4-5-10-15-20)17(21-2)16-11-7-6-8-12-16/h6-8,11-12,17H,3-5,9-10,13-15H2,1-2H3
InChIKey
DFKPLEFEIVTTOH-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-2-methoxy-2-phenyl-N-propylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 169.2
[M+Na]+ 311.209368 169.1
[M-H]- 287.212874 174.8
[M+NH4]+ 306.253973 182.0
[M+K]+ 327.183308 171.2
[M+H-H2O]+ 271.217410 160.3
[M+HCOO]- 333.218351 187.0
[M+CH3COO]- 347.234001 207.0
[M+Na-2H]- 309.194816 170.4
[M]+ 288.21960142 163.4
[M]- 288.22069858 163.4
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.