CID 76835061

P-hydroxy-eddp

Structural Information

Molecular Formula
C20H23NO
SMILES
CC=C1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H23NO/c1-4-19-20(14-15(2)21(19)3,16-8-6-5-7-9-16)17-10-12-18(22)13-11-17/h4-13,15,22H,14H2,1-3H3
InChIKey
AHZRXKZJSOCCNO-UHFFFAOYSA-N
Compound name
4-(2-ethylidene-1,5-dimethyl-3-phenylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

293.17798 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 171.1
[M+Na]+ 316.16720 179.1
[M-H]- 292.17070 178.6
[M+NH4]+ 311.21180 188.6
[M+K]+ 332.14114 172.8
[M+H-H2O]+ 276.17524 163.1
[M+HCOO]- 338.17618 190.5
[M+CH3COO]- 352.19183 182.5
[M+Na-2H]- 314.15265 171.5
[M]+ 293.17743 168.9
[M]- 293.17853 168.9
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

patents stripe