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]+ 304.165576 171.1
[M+Na]+ 326.147518 174.2
[M-H]- 302.151024 176.6
[M+NH4]+ 321.192123 184.0
[M+K]+ 342.121458 172.5
[M+H-H2O]+ 286.155560 161.2
[M+HCOO]- 348.156501 193.2
[M+CH3COO]- 362.172151 209.2
[M+Na-2H]- 324.132966 174.5
[M]+ 303.15775142 170.7
[M]- 303.15884858 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.