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

35
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 184.8
[M+Na]+ 383.11330 189.8
[M-H]- 359.11680 192.4
[M+NH4]+ 378.15790 197.9
[M+K]+ 399.08724 186.6
[M+H-H2O]+ 343.12134 176.7
[M+HCOO]- 405.12228 203.6
[M+CH3COO]- 419.13793 222.7
[M+Na-2H]- 381.09875 184.8
[M]+ 360.12353 189.7
[M]- 360.12463 189.7
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

patents stripe