CID 91051

23905-10-4

Structural Information

Molecular Formula
C23H32ClN3O2
SMILES
C1CN(CCN1CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CCOCCO
InChI
InChI=1S/C23H32ClN3O2/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)25-10-11-26-12-14-27(15-13-26)16-18-29-19-17-28/h1-9,23,25,28H,10-19H2
InChIKey
PVODOUYUXIIDFD-UHFFFAOYSA-N
Compound name
2-[2-[4-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethyl]piperazin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.2183 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22558 201.2
[M+Na]+ 440.20752 202.6
[M-H]- 416.21102 204.3
[M+NH4]+ 435.25212 207.5
[M+K]+ 456.18146 195.5
[M+H-H2O]+ 400.21556 189.6
[M+HCOO]- 462.21650 211.0
[M+CH3COO]- 476.23215 224.2
[M+Na-2H]- 438.19297 201.2
[M]+ 417.21775 200.0
[M]- 417.21885 200.0
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.