CID 13773464

Cor 2861

Structural Information

Molecular Formula
C24H34N2O2
SMILES
CC1=C(C(=CC=C1)N2CCN(CC2)CCOC3=C(C=C(C(=C3)C)O)C(C)C)C
InChI
InChI=1S/C24H34N2O2/c1-17(2)21-16-23(27)19(4)15-24(21)28-14-13-25-9-11-26(12-10-25)22-8-6-7-18(3)20(22)5/h6-8,15-17,27H,9-14H2,1-5H3
InChIKey
LMQQMUPCVFZSPH-UHFFFAOYSA-N
Compound name
4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.26202 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.269296 199.1
[M+Na]+ 405.251238 204.0
[M-H]- 381.254744 204.0
[M+NH4]+ 400.295843 207.6
[M+K]+ 421.225178 198.4
[M+H-H2O]+ 365.259280 188.2
[M+HCOO]- 427.260221 212.0
[M+CH3COO]- 441.275871 223.6
[M+Na-2H]- 403.236686 195.3
[M]+ 382.26147142 198.3
[M]- 382.26256858 198.3
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.