CID 3060418

Benzhydrol, alpha-(2-(cyclopentylmethylamino)-1-methylethyl)-, maleate

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(CN(C)C1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO/c1-18(17-23(2)21-15-9-10-16-21)22(24,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21,24H,9-10,15-17H2,1-2H3
InChIKey
HONMWJYWNINUQR-UHFFFAOYSA-N
Compound name
3-[cyclopentyl(methyl)amino]-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 180.6
[M+Na]+ 346.214118 181.7
[M-H]- 322.217624 188.8
[M+NH4]+ 341.258723 195.0
[M+K]+ 362.188058 177.9
[M+H-H2O]+ 306.222160 172.1
[M+HCOO]- 368.223101 199.2
[M+CH3COO]- 382.238751 211.3
[M+Na-2H]- 344.199566 181.1
[M]+ 323.22435142 176.8
[M]- 323.22544858 176.8
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.