CID 87294

17754-91-5

Structural Information

Molecular Formula
C20H20N4O
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H20N4O/c1-3-24(4-2)14-10-9-13-11-15(19(21)25-18(13)12-14)20-22-16-7-5-6-8-17(16)23-20/h5-12,21H,3-4H2,1-2H3,(H,22,23)
InChIKey
OPJVECATCLMTEH-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

332.1637 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 179.4
[M+Na]+ 355.15292 195.1
[M+NH4]+ 350.19752 187.6
[M+K]+ 371.12686 188.5
[M-H]- 331.15642 186.4
[M+Na-2H]- 353.13837 187.2
[M]+ 332.16315 183.7
[M]- 332.16425 183.7
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