CID 5220367

342046-30-4

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=CC(=C(C=C2)OC)O)C#N
InChI
InChI=1S/C16H15N3O2/c1-9-12(7-17)16(13(8-18)10(2)19-9)11-4-5-15(21-3)14(20)6-11/h4-6,16,19-20H,1-3H3
InChIKey
DFGVMVLAQOTWDL-UHFFFAOYSA-N
Compound name
4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 171.5
[M+Na]+ 304.10564 182.0
[M-H]- 280.10914 173.9
[M+NH4]+ 299.15024 180.5
[M+K]+ 320.07958 176.6
[M+H-H2O]+ 264.11368 155.7
[M+HCOO]- 326.11462 180.5
[M+CH3COO]- 340.13027 226.0
[M+Na-2H]- 302.09109 170.4
[M]+ 281.11587 163.1
[M]- 281.11697 163.1
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.