CID 210558

21282-39-3

Structural Information

Molecular Formula
C19H30Cl2N2O3
SMILES
CCCCN(CCN1CCOCC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C19H30Cl2N2O3/c1-2-3-6-23(8-7-22-9-11-25-12-10-22)14-17(24)15-26-19-5-4-16(20)13-18(19)21/h4-5,13,17,24H,2-3,6-12,14-15H2,1H3
InChIKey
UUTOCINOOOBCKH-UHFFFAOYSA-N
Compound name
1-[butyl(2-morpholin-4-ylethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.16336 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17064 196.5
[M+Na]+ 427.15258 199.1
[M-H]- 403.15608 199.7
[M+NH4]+ 422.19718 205.3
[M+K]+ 443.12652 195.2
[M+H-H2O]+ 387.16062 188.0
[M+HCOO]- 449.16156 202.6
[M+CH3COO]- 463.17721 223.2
[M+Na-2H]- 425.13803 195.2
[M]+ 404.16281 200.7
[M]- 404.16391 200.7
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.