CID 376402

Nsc657307

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CCC(=O)C(C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H25NO/c23-21-14-8-7-13-20(21)17-22(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2
InChIKey
BPJYFURCEKLWFQ-UHFFFAOYSA-N
Compound name
2-[(dibenzylamino)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

307.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 175.1
[M+Na]+ 330.18282 177.2
[M-H]- 306.18632 184.2
[M+NH4]+ 325.22742 188.9
[M+K]+ 346.15676 172.8
[M+H-H2O]+ 290.19086 165.0
[M+HCOO]- 352.19180 195.9
[M+CH3COO]- 366.20745 210.5
[M+Na-2H]- 328.16827 177.6
[M]+ 307.19305 171.0
[M]- 307.19415 171.0
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

patents stripe