CID 2729692

338966-39-5

Structural Information

Molecular Formula
C16H15N3O
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=CC=CC=C2OC)C#N
InChI
InChI=1S/C16H15N3O/c1-10-13(8-17)16(14(9-18)11(2)19-10)12-6-4-5-7-15(12)20-3/h4-7,16,19H,1-3H3
InChIKey
RXBZZUBZRCBRFD-UHFFFAOYSA-N
Compound name
4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

265.12152 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 168.4
[M+Na]+ 288.11074 178.8
[M-H]- 264.11424 171.3
[M+NH4]+ 283.15534 178.1
[M+K]+ 304.08468 173.0
[M+H-H2O]+ 248.11878 152.2
[M+HCOO]- 310.11972 178.3
[M+CH3COO]- 324.13537 225.3
[M+Na-2H]- 286.09619 168.1
[M]+ 265.12097 160.0
[M]- 265.12207 160.0
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.