CID 20015

3-(azepan-1-yl)-2-methyl-1,1-diphenylpropan-1-ol

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(CN1CCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO/c1-19(18-23-16-10-2-3-11-17-23)22(24,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,19,24H,2-3,10-11,16-18H2,1H3
InChIKey
RHTHJITVIHGSEE-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-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

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 179.2
[M+Na]+ 346.214118 179.1
[M-H]- 322.217624 185.0
[M+NH4]+ 341.258723 189.2
[M+K]+ 362.188058 178.5
[M+H-H2O]+ 306.222160 170.8
[M+HCOO]- 368.223101 192.3
[M+CH3COO]- 382.238751 206.5
[M+Na-2H]- 344.199566 181.2
[M]+ 323.22435142 170.3
[M]- 323.22544858 170.3
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.