CID 986276

304675-30-7

Structural Information

Molecular Formula
C19H21ClN2O3
SMILES
CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)Cl
InChI
InChI=1S/C19H21ClN2O3/c1-14-12-17(6-7-18(14)20)25-13-19(23)21-15-2-4-16(5-3-15)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKey
XBWOMFNUUPSJCT-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.12408 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.131356 185.5
[M+Na]+ 383.113298 190.6
[M-H]- 359.116804 193.4
[M+NH4]+ 378.157903 195.3
[M+K]+ 399.087238 186.5
[M+H-H2O]+ 343.121340 175.5
[M+HCOO]- 405.122281 199.0
[M+CH3COO]- 419.137931 214.4
[M+Na-2H]- 381.098746 187.5
[M]+ 360.12353142 186.1
[M]- 360.12462858 186.1
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.