CID 464273

2-methoxypyridine deriv. 25

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CCC1=CC(=C(N=C1C)OC)CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H18N2O3/c1-4-12-9-13(16(23-3)19-11(12)2)10-20-17(21)14-7-5-6-8-15(14)18(20)22/h5-9H,4,10H2,1-3H3
InChIKey
ZSCLJGSDZMBLNY-UHFFFAOYSA-N
Compound name
2-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 172.8
[M+Na]+ 333.12096 183.6
[M-H]- 309.12446 178.8
[M+NH4]+ 328.16556 188.4
[M+K]+ 349.09490 178.7
[M+H-H2O]+ 293.12900 164.3
[M+HCOO]- 355.12994 193.1
[M+CH3COO]- 369.14559 208.9
[M+Na-2H]- 331.10641 173.8
[M]+ 310.13119 177.6
[M]- 310.13229 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.