CID 5761852

302552-90-5

Structural Information

Molecular Formula
C19H17N3O
SMILES
CCCOC1=CC=C(C=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C19H17N3O/c1-2-11-23-16-9-7-14(8-10-16)12-15(13-20)19-21-17-5-3-4-6-18(17)22-19/h3-10,12H,2,11H2,1H3,(H,21,22)/b15-12-
InChIKey
JXCGTPSVAGUPTH-QINSGFPZSA-N
Compound name
(Z)-2-(1H-benzimidazol-2-yl)-3-(4-propoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.13718 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14446 175.7
[M+Na]+ 326.12640 189.3
[M+NH4]+ 321.17100 179.6
[M+K]+ 342.10034 179.3
[M-H]- 302.12990 171.1
[M+Na-2H]- 324.11185 180.1
[M]+ 303.13663 175.5
[M]- 303.13773 175.5
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.