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]+ 382.212506 196.3
[M+Na]+ 404.194448 198.5
[M-H]- 380.197954 204.5
[M+NH4]+ 399.239053 201.6
[M+K]+ 420.168388 199.1
[M+H-H2O]+ 364.202490 180.0
[M+HCOO]- 426.203431 216.8
[M+CH3COO]- 440.219081 227.3
[M+Na-2H]- 402.179896 197.8
[M]+ 381.20468142 206.7
[M]- 381.20577858 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.