CID 389220

3-(1h-benzimidazol-2-yl)chromen-2-imine

Structural Information

Molecular Formula
C16H11N3O
SMILES
C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C16H11N3O/c17-15-11(9-10-5-1-4-8-14(10)20-15)16-18-12-6-2-3-7-13(12)19-16/h1-9,17H,(H,18,19)
InChIKey
FNEFMQFIPIXXNV-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)chromen-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09748 155.7
[M+Na]+ 284.07942 167.2
[M-H]- 260.08292 162.2
[M+NH4]+ 279.12402 171.4
[M+K]+ 300.05336 160.9
[M+H-H2O]+ 244.08746 147.2
[M+HCOO]- 306.08840 177.5
[M+CH3COO]- 320.10405 168.5
[M+Na-2H]- 282.06487 165.2
[M]+ 261.08965 156.4
[M]- 261.09075 156.4
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.