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

5
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 179.1
[M+Na]+ 355.15292 188.7
[M-H]- 331.15642 186.6
[M+NH4]+ 350.19752 192.4
[M+K]+ 371.12686 183.1
[M+H-H2O]+ 315.16096 169.5
[M+HCOO]- 377.16190 200.9
[M+CH3COO]- 391.17755 190.3
[M+Na-2H]- 353.13837 185.6
[M]+ 332.16315 182.0
[M]- 332.16425 182.0
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.