CID 24843891

3-(3,3-dimethyl-1-azetidinyl)propiophenone o-(p-methoxycarbaniloyl)oxime hydrochloride

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CC1(CN(C1)CC/C(=N/OC(=O)NC2=CC=C(C=C2)OC)/C3=CC=CC=C3)C
InChI
InChI=1S/C22H27N3O3/c1-22(2)15-25(16-22)14-13-20(17-7-5-4-6-8-17)24-28-21(26)23-18-9-11-19(27-3)12-10-18/h4-12H,13-16H2,1-3H3,(H,23,26)/b24-20-
InChIKey
CHNHFFMFKSVNQU-GFMRDNFCSA-N
Compound name
[(Z)-[3-(3,3-dimethylazetidin-1-yl)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.20523 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 196.5
[M+Na]+ 404.19445 202.9
[M+NH4]+ 399.23905 199.7
[M+K]+ 420.16839 195.9
[M-H]- 380.19795 198.6
[M+Na-2H]- 402.17990 202.5
[M]+ 381.20468 196.8
[M]- 381.20578 196.8
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.