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 175.8
[M+Na]+ 340.16317 179.5
[M-H]- 316.16667 181.6
[M+NH4]+ 335.20777 188.6
[M+K]+ 356.13711 177.6
[M+H-H2O]+ 300.17121 166.1
[M+HCOO]- 362.17215 197.6
[M+CH3COO]- 376.18780 213.5
[M+Na-2H]- 338.14862 178.0
[M]+ 317.17340 176.2
[M]- 317.17450 176.2
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.