CID 9588830

145163-76-4

Structural Information

Molecular Formula
C16H21N3O3
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)ON2CCC=C(C2)/C=N/OC
InChI
InChI=1S/C16H21N3O3/c1-13(15-8-4-3-5-9-15)18-16(20)22-19-10-6-7-14(12-19)11-17-21-2/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,18,20)/b17-11+/t13-/m1/s1
InChIKey
HNGDRTLSEMJBED-VVBXCHJUSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-[(1R)-1-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 171.1
[M+Na]+ 326.14752 174.2
[M-H]- 302.15102 176.6
[M+NH4]+ 321.19212 184.0
[M+K]+ 342.12146 172.5
[M+H-H2O]+ 286.15556 161.2
[M+HCOO]- 348.15650 193.2
[M+CH3COO]- 362.17215 209.2
[M+Na-2H]- 324.13297 174.5
[M]+ 303.15775 170.7
[M]- 303.15885 170.7
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.