CID 9588828

Brn 5826754

Structural Information

Molecular Formula
C15H19N3O4
SMILES
COC1=CC=CC(=C1)NC(=O)ON2CCC=C(C2)/C=N/OC
InChI
InChI=1S/C15H19N3O4/c1-20-14-7-3-6-13(9-14)17-15(19)22-18-8-4-5-12(11-18)10-16-21-2/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,17,19)/b16-10+
InChIKey
XSWTWYVRJLXPLD-MHWRWJLKSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-(3-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13754 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14482 168.9
[M+Na]+ 328.12676 173.5
[M-H]- 304.13026 174.9
[M+NH4]+ 323.17136 182.1
[M+K]+ 344.10070 172.2
[M+H-H2O]+ 288.13480 159.1
[M+HCOO]- 350.13574 192.5
[M+CH3COO]- 364.15139 208.8
[M+Na-2H]- 326.11221 173.4
[M]+ 305.13699 170.5
[M]- 305.13809 170.5
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.