CID 13337417

88770-80-3

Structural Information

Molecular Formula
C25H36ClNO5
SMILES
CC(C)N(CCOC1=C(C(=CC(=C1OC)Cl)OC)C(CCC2=CC=C(C=C2)O)O)C(C)C
InChI
InChI=1S/C25H36ClNO5/c1-16(2)27(17(3)4)13-14-32-25-23(22(30-5)15-20(26)24(25)31-6)21(29)12-9-18-7-10-19(28)11-8-18/h7-8,10-11,15-17,21,28-29H,9,12-14H2,1-6H3
InChIKey
RVJVLGGIACKZEH-UHFFFAOYSA-N
Compound name
4-[3-[4-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]-3,6-dimethoxyphenyl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.2282 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.23548 213.1
[M+Na]+ 488.21742 217.1
[M-H]- 464.22092 218.0
[M+NH4]+ 483.26202 221.7
[M+K]+ 504.19136 214.3
[M+H-H2O]+ 448.22546 205.2
[M+HCOO]- 510.22640 225.9
[M+CH3COO]- 524.24205 240.5
[M+Na-2H]- 486.20287 207.1
[M]+ 465.22765 222.7
[M]- 465.22875 222.7
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.