CID 317203

2,3-bis(4-methoxyphenyl)propanenitrile

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC1=CC=C(C=C1)CC(C#N)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H17NO2/c1-19-16-7-3-13(4-8-16)11-15(12-18)14-5-9-17(20-2)10-6-14/h3-10,15H,11H2,1-2H3
InChIKey
WXTLYNYQEYBSHU-UHFFFAOYSA-N
Compound name
2,3-bis(4-methoxyphenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

267.12592 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 164.4
[M+Na]+ 290.11514 173.8
[M-H]- 266.11864 169.7
[M+NH4]+ 285.15974 179.0
[M+K]+ 306.08908 168.7
[M+H-H2O]+ 250.12318 150.3
[M+HCOO]- 312.12412 183.6
[M+CH3COO]- 326.13977 209.7
[M+Na-2H]- 288.10059 167.6
[M]+ 267.12537 161.9
[M]- 267.12647 161.9
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