CID 9588827

Brn 5828276

Structural Information

Molecular Formula
C17H23N3O3
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)ON2CCC=C(C2)/C=N/OC
InChI
InChI=1S/C17H23N3O3/c1-13(2)15-6-8-16(9-7-15)19-17(21)23-20-10-4-5-14(12-20)11-18-22-3/h5-9,11,13H,4,10,12H2,1-3H3,(H,19,21)/b18-11+
InChIKey
RZADBKJQNNVMMS-WOJGMQOQSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-(4-propan-2-ylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.17395 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 176.2
[M+Na]+ 340.16317 186.1
[M+NH4]+ 335.20777 182.1
[M+K]+ 356.13711 180.3
[M-H]- 316.16667 179.6
[M+Na-2H]- 338.14862 182.1
[M]+ 317.17340 178.2
[M]- 317.17450 178.2
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.