CID 3043715

56071-40-0

Structural Information

Molecular Formula
C15H22N2O
SMILES
CN1CCN(CC1)C2CCCOC3=CC=CC=C23
InChI
InChI=1S/C15H22N2O/c1-16-8-10-17(11-9-16)14-6-4-12-18-15-7-3-2-5-13(14)15/h2-3,5,7,14H,4,6,8-12H2,1H3
InChIKey
QJWOWNMLBNTHIU-UHFFFAOYSA-N
Compound name
1-methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 161.7
[M+Na]+ 269.16244 172.7
[M+NH4]+ 264.20704 169.8
[M+K]+ 285.13638 166.7
[M-H]- 245.16594 166.4
[M+Na-2H]- 267.14789 167.0
[M]+ 246.17267 164.6
[M]- 246.17377 164.6
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.