CID 55381

1-(4-cyclopentylphenyl)-2-(methyl(phenylmethyl)amino)ethanone hydrogen maleate

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

0
Patents

307.1936 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 176.4
[M+Na]+ 330.18282 179.1
[M-H]- 306.18632 186.2
[M+NH4]+ 325.22742 192.3
[M+K]+ 346.15676 175.2
[M+H-H2O]+ 290.19086 167.2
[M+HCOO]- 352.19180 198.5
[M+CH3COO]- 366.20745 210.8
[M+Na-2H]- 328.16827 176.1
[M]+ 307.19305 174.1
[M]- 307.19415 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