CID 90829

22663-53-2

Structural Information

Molecular Formula
C23H25ClN4O
SMILES
C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4
InChI
InChI=1S/C23H25ClN4O/c24-21-9-7-20(8-10-21)22(19-5-2-1-3-6-19)29-18-17-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h1-12,22H,13-18H2
InChIKey
DZVFBXIIOXPEOF-UHFFFAOYSA-N
Compound name
2-[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1717 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17898 198.3
[M+Na]+ 431.16092 202.1
[M-H]- 407.16442 203.0
[M+NH4]+ 426.20552 202.2
[M+K]+ 447.13486 193.9
[M+H-H2O]+ 391.16896 183.3
[M+HCOO]- 453.16990 206.2
[M+CH3COO]- 467.18555 204.1
[M+Na-2H]- 429.14637 200.2
[M]+ 408.17115 195.9
[M]- 408.17225 195.9
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

No patent data available for this compound.