CID 211272

22820-21-9

Structural Information

Molecular Formula
C19H31ClN2O3
SMILES
CCCCN(CCN1CCOCC1)CC(COC2=CC=CC=C2Cl)O
InChI
InChI=1S/C19H31ClN2O3/c1-2-3-8-22(10-9-21-11-13-24-14-12-21)15-17(23)16-25-19-7-5-4-6-18(19)20/h4-7,17,23H,2-3,8-16H2,1H3
InChIKey
CCYNNBNTRNTHNK-UHFFFAOYSA-N
Compound name
1-[butyl(2-morpholin-4-ylethyl)amino]-3-(2-chlorophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.20233 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20961 191.5
[M+Na]+ 393.19155 192.9
[M-H]- 369.19505 195.1
[M+NH4]+ 388.23615 200.9
[M+K]+ 409.16549 190.1
[M+H-H2O]+ 353.19959 182.1
[M+HCOO]- 415.20053 202.7
[M+CH3COO]- 429.21618 218.1
[M+Na-2H]- 391.17700 191.6
[M]+ 370.20178 194.0
[M]- 370.20288 194.0
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.