CID 39334

42882-45-1

Structural Information

Molecular Formula
C23H29NO
SMILES
CC(C)N(CC1=CC=CC=C1)CC(=O)C2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C23H29NO/c1-18(2)24(16-19-9-5-3-6-10-19)17-23(25)22-14-13-20-11-7-4-8-12-21(20)15-22/h3,5-6,9-10,13-15,18H,4,7-8,11-12,16-17H2,1-2H3
InChIKey
SWJAHERGFQNCSM-UHFFFAOYSA-N
Compound name
2-[benzyl(propan-2-yl)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

335.2249 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 183.3
[M+Na]+ 358.21412 193.4
[M+NH4]+ 353.25872 191.3
[M+K]+ 374.18806 186.6
[M-H]- 334.21762 188.6
[M+Na-2H]- 356.19957 190.1
[M]+ 335.22435 186.3
[M]- 335.22545 186.3
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.