CID 391678

Nsc691220

Structural Information

Molecular Formula
C24H17FN4
SMILES
C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)NCCC5=CC=C(C=C5)F
InChI
InChI=1S/C24H17FN4/c25-17-11-9-16(10-12-17)13-14-27-23-18-5-1-3-7-21(18)29-22-8-4-2-6-20(22)28-24(29)19(23)15-26/h1-12,27H,13-14H2
InChIKey
YZXQLOGTUGLDBN-UHFFFAOYSA-N
Compound name
5-[2-(4-fluorophenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14374 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15102 196.2
[M+Na]+ 403.13296 209.9
[M-H]- 379.13646 199.3
[M+NH4]+ 398.17756 207.7
[M+K]+ 419.10690 196.3
[M+H-H2O]+ 363.14100 178.2
[M+HCOO]- 425.14194 212.5
[M+CH3COO]- 439.15759 204.2
[M+Na-2H]- 401.11841 200.8
[M]+ 380.14319 193.2
[M]- 380.14429 193.2
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.