CID 41734

56071-35-3

Structural Information

Molecular Formula
C20H25NO
SMILES
CC1=CC=C(C=C1)CCNC2CCCOC3=C2C=C(C=C3)C
InChI
InChI=1S/C20H25NO/c1-15-5-8-17(9-6-15)11-12-21-19-4-3-13-22-20-10-7-16(2)14-18(19)20/h5-10,14,19,21H,3-4,11-13H2,1-2H3
InChIKey
CZPQPODTBLXEEK-UHFFFAOYSA-N
Compound name
7-methyl-N-[2-(4-methylphenyl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 175.1
[M+Na]+ 318.18282 187.3
[M+NH4]+ 313.22742 183.6
[M+K]+ 334.15676 179.6
[M-H]- 294.18632 182.0
[M+Na-2H]- 316.16827 182.0
[M]+ 295.19305 179.0
[M]- 295.19415 179.0
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.