CID 392512

Nsc693029

Structural Information

Molecular Formula
C18H12FN3O
SMILES
C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)OCCF
InChI
InChI=1S/C18H12FN3O/c19-9-10-23-17-12-5-1-3-7-15(12)22-16-8-4-2-6-14(16)21-18(22)13(17)11-20/h1-8H,9-10H2
InChIKey
IHNQBYQGGNYXNV-UHFFFAOYSA-N
Compound name
5-(2-fluoroethoxy)benzimidazolo[1,2-a]quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09644 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10372 171.3
[M+Na]+ 328.08566 186.3
[M-H]- 304.08916 172.7
[M+NH4]+ 323.13026 186.6
[M+K]+ 344.05960 175.5
[M+H-H2O]+ 288.09370 155.1
[M+HCOO]- 350.09464 188.2
[M+CH3COO]- 364.11029 181.6
[M+Na-2H]- 326.07111 177.6
[M]+ 305.09589 170.7
[M]- 305.09699 170.7
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.