CID 39332

42882-44-0

Structural Information

Molecular Formula
C21H25NO
SMILES
CN(CC1=CC=CC=C1)CC(=O)C2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C21H25NO/c1-22(15-17-8-4-2-5-9-17)16-21(23)20-13-12-18-10-6-3-7-11-19(18)14-20/h2,4-5,8-9,12-14H,3,6-7,10-11,15-16H2,1H3
InChIKey
INRXKGIGSFRDEV-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 175.4
[M+Na]+ 330.18282 186.3
[M+NH4]+ 325.22742 183.8
[M+K]+ 346.15676 179.1
[M-H]- 306.18632 180.9
[M+Na-2H]- 328.16827 183.1
[M]+ 307.19305 178.6
[M]- 307.19415 178.6
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.