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]+ 324.232176 181.5
[M+Na]+ 346.214118 183.0
[M-H]- 322.217624 186.9
[M+NH4]+ 341.258723 194.2
[M+K]+ 362.188058 178.2
[M+H-H2O]+ 306.222160 172.5
[M+HCOO]- 368.223101 196.2
[M+CH3COO]- 382.238751 206.5
[M+Na-2H]- 344.199566 181.0
[M]+ 323.22435142 176.9
[M]- 323.22544858 176.9
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.