CID 24836128

D-3-((3,3-dibutyl-1-azetidinyl)methyl)camphor o-(p-methoxycarbaniloyl)oxime hydrochloride

Structural Information

Molecular Formula
C30H47N3O3
SMILES
CCCCC1(CN(C1)CC\2[C@H]3CC[C@@](/C2=N\OC(=O)NC4=CC=C(C=C4)OC)(C3(C)C)C)CCCC
InChI
InChI=1S/C30H47N3O3/c1-7-9-16-30(17-10-8-2)20-33(21-30)19-24-25-15-18-29(5,28(25,3)4)26(24)32-36-27(34)31-22-11-13-23(35-6)14-12-22/h11-14,24-25H,7-10,15-21H2,1-6H3,(H,31,34)/b32-26-/t24?,25-,29+/m1/s1
InChIKey
IHNRTRYSUMPECC-FSLXOLCLSA-N
Compound name
[(Z)-[(1R,4R)-3-[(3,3-dibutylazetidin-1-yl)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.36176 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.36904 227.5
[M+Na]+ 520.35098 229.0
[M-H]- 496.35448 234.9
[M+NH4]+ 515.39558 237.9
[M+K]+ 536.32492 227.2
[M+H-H2O]+ 480.35902 215.9
[M+HCOO]- 542.35996 242.9
[M+CH3COO]- 556.37561 251.2
[M+Na-2H]- 518.33643 223.5
[M]+ 497.36121 241.1
[M]- 497.36231 241.1
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.