CID 133875

Pibaxizine

Structural Information

Molecular Formula
C24H29NO4
SMILES
C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CC=C3)CCOCCOCC(=O)O
InChI
InChI=1S/C24H29NO4/c26-23(27)19-29-18-17-28-16-15-25-13-11-22(12-14-25)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10H,11-19H2,(H,26,27)
InChIKey
KMUBBNQZNBTUSH-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

395.20966 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21694 197.3
[M+Na]+ 418.19888 197.6
[M-H]- 394.20238 201.7
[M+NH4]+ 413.24348 204.6
[M+K]+ 434.17282 192.7
[M+H-H2O]+ 378.20692 186.1
[M+HCOO]- 440.20786 211.4
[M+CH3COO]- 454.22351 217.8
[M+Na-2H]- 416.18433 196.2
[M]+ 395.20911 194.6
[M]- 395.21021 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe