CID 13591222

Cor 2843

Structural Information

Molecular Formula
C23H32N2O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCOC3=C(C=C(C(=C3)C)O)C(C)C
InChI
InChI=1S/C23H32N2O2/c1-17(2)20-16-22(26)19(4)15-23(20)27-14-13-24-9-11-25(12-10-24)21-8-6-5-7-18(21)3/h5-8,15-17,26H,9-14H2,1-4H3
InChIKey
WTNFUCMGDQCPLN-UHFFFAOYSA-N
Compound name
2-methyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]ethoxy]-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24637 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.253646 194.6
[M+Na]+ 391.235588 199.1
[M-H]- 367.239094 199.3
[M+NH4]+ 386.280193 203.4
[M+K]+ 407.209528 193.6
[M+H-H2O]+ 351.243630 183.6
[M+HCOO]- 413.244571 207.9
[M+CH3COO]- 427.260221 219.4
[M+Na-2H]- 389.221036 192.0
[M]+ 368.24582142 193.1
[M]- 368.24691858 193.1
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.