CID 3070072

85689-97-0

Structural Information

Molecular Formula
C21H27NO
SMILES
CC(C1=CC=CC=C1)N(C)C(C2=CC=C(C=C2)C3CCCC3)O
InChI
InChI=1S/C21H27NO/c1-16(17-8-4-3-5-9-17)22(2)21(23)20-14-12-19(13-15-20)18-10-6-7-11-18/h3-5,8-9,12-16,18,21,23H,6-7,10-11H2,1-2H3
InChIKey
PLZGJRWWDBOBBF-UHFFFAOYSA-N
Compound name
(4-cyclopentylphenyl)-[methyl(1-phenylethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 177.3
[M+Na]+ 332.198478 179.0
[M-H]- 308.201984 185.8
[M+NH4]+ 327.243083 192.4
[M+K]+ 348.172418 175.5
[M+H-H2O]+ 292.206520 168.6
[M+HCOO]- 354.207461 196.8
[M+CH3COO]- 368.223111 210.0
[M+Na-2H]- 330.183926 175.5
[M]+ 309.20871142 173.4
[M]- 309.20980858 173.4
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.