CID 372050

Nsc646910

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CC1=C(N=C(C(=C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)OC)C
InChI
InChI=1S/C18H20N2O4/c1-10-11(2)20-18(24-6)13(9-19)16(10)12-7-14(21-3)17(23-5)15(8-12)22-4/h7-8H,1-6H3
InChIKey
WPBHISVYRNFNIR-UHFFFAOYSA-N
Compound name
2-methoxy-5,6-dimethyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1423 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.149576 172.4
[M+Na]+ 351.131518 184.5
[M-H]- 327.135024 177.6
[M+NH4]+ 346.176123 184.5
[M+K]+ 367.105458 181.3
[M+H-H2O]+ 311.139560 157.6
[M+HCOO]- 373.140501 191.1
[M+CH3COO]- 387.156151 223.2
[M+Na-2H]- 349.116966 173.4
[M]+ 328.14175142 175.4
[M]- 328.14284858 175.4
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.