CID 3052883

69382-05-4

Structural Information

Molecular Formula
C22H29NO
SMILES
CCCC1(CCN(C1)CCCC2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C22H29NO/c1-2-13-22(20-11-6-12-21(24)17-20)14-16-23(18-22)15-7-10-19-8-4-3-5-9-19/h3-6,8-9,11-12,17,24H,2,7,10,13-16,18H2,1H3
InChIKey
SIBNTWHLPHYCCQ-UHFFFAOYSA-N
Compound name
3-[1-(3-phenylpropyl)-3-propylpyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 181.7
[M+Na]+ 346.21412 186.4
[M-H]- 322.21762 187.8
[M+NH4]+ 341.25872 197.2
[M+K]+ 362.18806 180.2
[M+H-H2O]+ 306.22216 172.4
[M+HCOO]- 368.22310 200.1
[M+CH3COO]- 382.23875 206.1
[M+Na-2H]- 344.19957 182.2
[M]+ 323.22435 179.9
[M]- 323.22545 179.9
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.