CID 68750

Pipoxizina

Structural Information

Molecular Formula
C24H31NO3
SMILES
C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CC=C3)CCOCCOCCO
InChI
InChI=1S/C24H31NO3/c26-16-18-28-20-19-27-17-15-25-13-11-23(12-14-25)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,26H,11-20H2
InChIKey
SCMPXORBOTWFTI-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

381.2304 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23768 195.6
[M+Na]+ 404.21962 196.0
[M-H]- 380.22312 199.9
[M+NH4]+ 399.26422 203.8
[M+K]+ 420.19356 190.4
[M+H-H2O]+ 364.22766 184.3
[M+HCOO]- 426.22860 210.3
[M+CH3COO]- 440.24425 215.5
[M+Na-2H]- 402.20507 195.4
[M]+ 381.22985 192.7
[M]- 381.23095 192.7
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.