CID 5773891

Ccg-302

Structural Information

Molecular Formula
C18H17NO3
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C2=CC=CC=C2
InChI
InChI=1S/C18H17NO3/c1-20-16-10-13(11-17(21-2)18(16)22-3)9-15(12-19)14-7-5-4-6-8-14/h4-11H,1-3H3/b15-9+
InChIKey
GPSGSMDCUCRDGD-OQLLNIDSSA-N
Compound name
(Z)-2-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 170.8
[M+Na]+ 318.11007 180.7
[M-H]- 294.11357 176.3
[M+NH4]+ 313.15467 184.6
[M+K]+ 334.08401 175.7
[M+H-H2O]+ 278.11811 156.5
[M+HCOO]- 340.11905 190.0
[M+CH3COO]- 354.13470 214.0
[M+Na-2H]- 316.09552 172.8
[M]+ 295.12030 169.5
[M]- 295.12140 169.5
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.