CID 6040577

2-(1h-benzimidazol-2-yl)-3-(4-propoxyphenyl)acrylonitrile

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-NTCAYCPXSA-N
Compound name
(E)-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]+ 304.144456 176.3
[M+Na]+ 326.126398 186.5
[M-H]- 302.129904 177.9
[M+NH4]+ 321.171003 188.5
[M+K]+ 342.100338 177.4
[M+H-H2O]+ 286.134440 160.2
[M+HCOO]- 348.135381 192.3
[M+CH3COO]- 362.151031 184.8
[M+Na-2H]- 324.111846 178.7
[M]+ 303.13663142 172.0
[M]- 303.13772858 172.0
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.