CID 13773466

Cor 2864

Structural Information

Molecular Formula
C22H29ClN2O2
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCN2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H29ClN2O2/c1-16(2)18-15-21(26)17(3)14-22(18)27-13-12-24-8-10-25(11-9-24)20-7-5-4-6-19(20)23/h4-7,14-16,26H,8-13H2,1-3H3
InChIKey
NJYVTXHBRABIRS-UHFFFAOYSA-N
Compound name
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

388.19174 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19902 195.7
[M+Na]+ 411.18096 201.3
[M-H]- 387.18446 200.3
[M+NH4]+ 406.22556 204.5
[M+K]+ 427.15490 194.6
[M+H-H2O]+ 371.18900 185.3
[M+HCOO]- 433.18994 204.8
[M+CH3COO]- 447.20559 220.0
[M+Na-2H]- 409.16641 193.2
[M]+ 388.19119 196.1
[M]- 388.19229 196.1
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.