CID 215452

35706-67-3

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(C)C(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO/c1-18(2)21(17-23-15-9-10-16-23)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
RREORLHOXFAIQQ-UHFFFAOYSA-N
Compound name
3-methyl-1,1-diphenyl-2-(pyrrolidin-1-ylmethyl)butan-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]+ 324.23218 182.4
[M+Na]+ 346.21412 193.5
[M+NH4]+ 341.25872 190.3
[M+K]+ 362.18806 188.2
[M-H]- 322.21762 186.9
[M+Na-2H]- 344.19957 190.3
[M]+ 323.22435 185.3
[M]- 323.22545 185.3
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.