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

1
Patents

382.26202 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.26930 199.1
[M+Na]+ 405.25124 204.0
[M-H]- 381.25474 204.0
[M+NH4]+ 400.29584 207.6
[M+K]+ 421.22518 198.4
[M+H-H2O]+ 365.25928 188.2
[M+HCOO]- 427.26022 212.0
[M+CH3COO]- 441.27587 223.6
[M+Na-2H]- 403.23669 195.3
[M]+ 382.26147 198.3
[M]- 382.26257 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.