CID 68894

Oxazafone

Structural Information

Molecular Formula
C19H21ClN2O3
SMILES
CN(CCO)CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H21ClN2O3/c1-21(10-11-23)13-18(24)22(2)17-9-8-15(20)12-16(17)19(25)14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3
InChIKey
PGOZOAJPDMEYFX-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

360.12408 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13136 184.3
[M+Na]+ 383.11330 195.9
[M+NH4]+ 378.15790 190.8
[M+K]+ 399.08724 189.7
[M-H]- 359.11680 188.4
[M+Na-2H]- 381.09875 191.2
[M]+ 360.12353 187.2
[M]- 360.12463 187.2
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

patents stripe