CID 91936864

Quinolin-8-yl 1-((4-fluorophenyl)methyl)-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C25H17FN2O2
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)C(=O)OC4=CC=CC5=C4N=CC=C5
InChI
InChI=1S/C25H17FN2O2/c26-19-12-10-17(11-13-19)15-28-16-21(20-7-1-2-8-22(20)28)25(29)30-23-9-3-5-18-6-4-14-27-24(18)23/h1-14,16H,15H2
InChIKey
ROHVURVXAOMRJY-UHFFFAOYSA-N
Compound name
quinolin-8-yl 1-[(4-fluorophenyl)methyl]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

15
Patents

396.1274 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.13468 196.0
[M+Na]+ 419.11662 205.7
[M-H]- 395.12012 204.1
[M+NH4]+ 414.16122 207.3
[M+K]+ 435.09056 197.7
[M+H-H2O]+ 379.12466 183.5
[M+HCOO]- 441.12560 214.7
[M+CH3COO]- 455.14125 205.7
[M+Na-2H]- 417.10207 199.2
[M]+ 396.12685 198.2
[M]- 396.12795 198.2
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.