CID 24843897

Propiophenone, 3-(3,3-dipropyl-1-azetidinyl)-, o-(p-methoxycarbaniloyl)oxime, hydrochloride

Structural Information

Molecular Formula
C26H35N3O3
SMILES
CCCC1(CN(C1)CC/C(=N/OC(=O)NC2=CC=C(C=C2)OC)/C3=CC=CC=C3)CCC
InChI
InChI=1S/C26H35N3O3/c1-4-16-26(17-5-2)19-29(20-26)18-15-24(21-9-7-6-8-10-21)28-32-25(30)27-22-11-13-23(31-3)14-12-22/h6-14H,4-5,15-20H2,1-3H3,(H,27,30)/b28-24-
InChIKey
PFXTWIPMLMSLPY-COOPMVRXSA-N
Compound name
[(Z)-[3-(3,3-dipropylazetidin-1-yl)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.26785 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.27513 214.1
[M+Na]+ 460.25707 214.3
[M-H]- 436.26057 221.3
[M+NH4]+ 455.30167 216.9
[M+K]+ 476.23101 214.2
[M+H-H2O]+ 420.26511 196.8
[M+HCOO]- 482.26605 233.1
[M+CH3COO]- 496.28170 238.6
[M+Na-2H]- 458.24252 213.4
[M]+ 437.26730 225.6
[M]- 437.26840 225.6
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.