CID 40733

Brn 0575749

Structural Information

Molecular Formula
C23H38N2O5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)CCO)O)C(=O)OC(C)C
InChI
InChI=1S/C23H38N2O5/c1-16(2)20-7-6-18(5)21(23(28)30-17(3)4)22(20)29-15-19(27)14-25-10-8-24(9-11-25)12-13-26/h6-7,16-17,19,26-27H,8-15H2,1-5H3
InChIKey
HFJKKNWEJFPBRG-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.27808 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.28536 205.2
[M+Na]+ 445.26730 212.6
[M+NH4]+ 440.31190 208.0
[M+K]+ 461.24124 209.4
[M-H]- 421.27080 204.3
[M+Na-2H]- 443.25275 205.3
[M]+ 422.27753 205.5
[M]- 422.27863 205.5
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

No patent data available for this compound.