CID 115914

63951-04-2

Structural Information

Molecular Formula
C21H28N2O
SMILES
CCCC1(CCN(C1)CCC2=CC=C(C=C2)N)C3=CC(=CC=C3)O
InChI
InChI=1S/C21H28N2O/c1-2-11-21(18-4-3-5-20(24)15-18)12-14-23(16-21)13-10-17-6-8-19(22)9-7-17/h3-9,15,24H,2,10-14,16,22H2,1H3
InChIKey
HPOUDGQCZNPFSH-UHFFFAOYSA-N
Compound name
3-[1-[2-(4-aminophenyl)ethyl]-3-propylpyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 180.4
[M+Na]+ 347.20937 185.6
[M-H]- 323.21287 186.6
[M+NH4]+ 342.25397 195.6
[M+K]+ 363.18331 179.4
[M+H-H2O]+ 307.21741 171.5
[M+HCOO]- 369.21835 199.6
[M+CH3COO]- 383.23400 208.8
[M+Na-2H]- 345.19482 180.6
[M]+ 324.21960 177.2
[M]- 324.22070 177.2
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

patents stripe