CID 3035337

30078-48-9

Structural Information

Molecular Formula
C19H20N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)C/C(=C/NC2=CC=CC=C2)/C#N
InChI
InChI=1S/C19H20N2O3/c1-22-17-10-14(11-18(23-2)19(17)24-3)9-15(12-20)13-21-16-7-5-4-6-8-16/h4-8,10-11,13,21H,9H2,1-3H3/b15-13-
InChIKey
LMGNGGBSQVPQCO-SQFISAMPSA-N
Compound name
(Z)-3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

324.1474 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 179.7
[M+Na]+ 347.13662 188.0
[M-H]- 323.14012 184.7
[M+NH4]+ 342.18122 191.8
[M+K]+ 363.11056 183.1
[M+H-H2O]+ 307.14466 164.7
[M+HCOO]- 369.14560 199.2
[M+CH3COO]- 383.16125 221.2
[M+Na-2H]- 345.12207 181.3
[M]+ 324.14685 177.9
[M]- 324.14795 177.9
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

patents stripe