CID 55381

Ethanone, 1-(4-cyclopentylphenyl)-2-(methyl(phenylmethyl)amino)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C21H25NO
SMILES
CN(CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3
InChI
InChI=1S/C21H25NO/c1-22(15-17-7-3-2-4-8-17)16-21(23)20-13-11-19(12-14-20)18-9-5-6-10-18/h2-4,7-8,11-14,18H,5-6,9-10,15-16H2,1H3
InChIKey
VWXBTOCUMUBABZ-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-1-(4-cyclopentylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.1936 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 176.4
[M+Na]+ 330.182818 179.1
[M-H]- 306.186324 186.2
[M+NH4]+ 325.227423 192.3
[M+K]+ 346.156758 175.2
[M+H-H2O]+ 290.190860 167.2
[M+HCOO]- 352.191801 198.5
[M+CH3COO]- 366.207451 210.8
[M+Na-2H]- 328.168266 176.1
[M]+ 307.19305142 174.1
[M]- 307.19414858 174.1
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