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]+ 308.200876 173.4
[M+Na]+ 330.182818 175.4
[M-H]- 306.186324 181.7
[M+NH4]+ 325.227423 187.9
[M+K]+ 346.156758 175.9
[M+H-H2O]+ 290.190860 166.5
[M+HCOO]- 352.191801 192.7
[M+CH3COO]- 366.207451 212.6
[M+Na-2H]- 328.168266 176.2
[M]+ 307.19305142 168.8
[M]- 307.19414858 168.8
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.