CID 22009902

149506-79-6

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CC(=O)CCC1N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H23NO/c22-20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKey
ZDHRRHRWHFBMQV-UHFFFAOYSA-N
Compound name
4-(dibenzylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

343
Patents

293.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 170.6
[M+Na]+ 316.16720 173.1
[M-H]- 292.17070 179.9
[M+NH4]+ 311.21180 185.0
[M+K]+ 332.14114 169.0
[M+H-H2O]+ 276.17524 160.7
[M+HCOO]- 338.17618 191.8
[M+CH3COO]- 352.19183 207.6
[M+Na-2H]- 314.15265 173.7
[M]+ 293.17743 166.2
[M]- 293.17853 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe