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]+ 466.235476 213.1
[M+Na]+ 488.217418 217.1
[M-H]- 464.220924 218.0
[M+NH4]+ 483.262023 221.7
[M+K]+ 504.191358 214.3
[M+H-H2O]+ 448.225460 205.2
[M+HCOO]- 510.226401 225.9
[M+CH3COO]- 524.242051 240.5
[M+Na-2H]- 486.202866 207.1
[M]+ 465.22765142 222.7
[M]- 465.22874858 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.