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]+ 304.14446 176.3
[M+Na]+ 326.12640 186.5
[M-H]- 302.12990 177.9
[M+NH4]+ 321.17100 188.5
[M+K]+ 342.10034 177.4
[M+H-H2O]+ 286.13444 160.2
[M+HCOO]- 348.13538 192.3
[M+CH3COO]- 362.15103 184.8
[M+Na-2H]- 324.11185 178.7
[M]+ 303.13663 172.0
[M]- 303.13773 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.