CID 24843891

Propiophenone, 3-(3,3-dimethyl-1-azetidinyl)-, 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 196.3
[M+Na]+ 404.19445 198.5
[M-H]- 380.19795 204.5
[M+NH4]+ 399.23905 201.6
[M+K]+ 420.16839 199.1
[M+H-H2O]+ 364.20249 180.0
[M+HCOO]- 426.20343 216.8
[M+CH3COO]- 440.21908 227.3
[M+Na-2H]- 402.17990 197.8
[M]+ 381.20468 206.7
[M]- 381.20578 206.7
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

No patent data available for this compound.