CID 63345

Etodroxizine

Structural Information

Molecular Formula
C23H31ClN2O3
SMILES
C1CN(CCN1CCOCCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27/h1-9,23,27H,10-19H2
InChIKey
VUFOCTSXHUWGPW-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

499
Patents

418.20233 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20961 201.1
[M+Na]+ 441.19155 203.2
[M-H]- 417.19505 204.3
[M+NH4]+ 436.23615 207.6
[M+K]+ 457.16549 196.8
[M+H-H2O]+ 401.19959 189.5
[M+HCOO]- 463.20053 210.0
[M+CH3COO]- 477.21618 221.2
[M+Na-2H]- 439.17700 200.5
[M]+ 418.20178 201.9
[M]- 418.20288 201.9
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