CID 100261

36998-79-5

Structural Information

Molecular Formula
C18H17N3O
SMILES
CN(C)C1=CC=C(C=C1)C=CC(=O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C18H17N3O/c1-21(2)14-10-7-13(8-11-14)9-12-17(22)18-19-15-5-3-4-6-16(15)20-18/h3-12H,1-2H3,(H,19,20)
InChIKey
CZFRSDJMVHGIIZ-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.13718 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 168.7
[M+Na]+ 314.12640 176.8
[M-H]- 290.12990 174.2
[M+NH4]+ 309.17100 183.8
[M+K]+ 330.10034 171.2
[M+H-H2O]+ 274.13444 159.5
[M+HCOO]- 336.13538 190.8
[M+CH3COO]- 350.15103 180.0
[M+Na-2H]- 312.11185 172.8
[M]+ 291.13663 170.0
[M]- 291.13773 170.0
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

No patent data available for this compound.