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 173.4
[M+Na]+ 330.18282 175.4
[M-H]- 306.18632 181.7
[M+NH4]+ 325.22742 187.9
[M+K]+ 346.15676 175.9
[M+H-H2O]+ 290.19086 166.5
[M+HCOO]- 352.19180 192.7
[M+CH3COO]- 366.20745 212.6
[M+Na-2H]- 328.16827 176.2
[M]+ 307.19305 168.8
[M]- 307.19415 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.