CID 3057378

74037-80-2

Structural Information

Molecular Formula
C26H29ClN2O2
SMILES
COC1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3Cl)C(C4=CC=CC=C4)O
InChI
InChI=1S/C26H29ClN2O2/c1-31-22-13-11-20(12-14-22)19-28-15-17-29(18-16-28)25(23-9-5-6-10-24(23)27)26(30)21-7-3-2-4-8-21/h2-14,25-26,30H,15-19H2,1H3
InChIKey
IGFBDYAADYLYDQ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

436.19174 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19902 205.9
[M+Na]+ 459.18096 208.6
[M-H]- 435.18446 212.4
[M+NH4]+ 454.22556 211.2
[M+K]+ 475.15490 201.1
[M+H-H2O]+ 419.18900 193.3
[M+HCOO]- 481.18994 213.7
[M+CH3COO]- 495.20559 211.7
[M+Na-2H]- 457.16641 204.2
[M]+ 436.19119 203.5
[M]- 436.19229 203.5
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

patents stripe