CID 45051268

853330-93-5

Structural Information

Molecular Formula
C21H21FN2
SMILES
CCC(CC)NC1=C2CC3=C(C2=NC4=CC=CC=C41)C=CC(=C3)F
InChI
InChI=1S/C21H21FN2/c1-3-15(4-2)23-21-17-7-5-6-8-19(17)24-20-16-10-9-14(22)11-13(16)12-18(20)21/h5-11,15H,3-4,12H2,1-2H3,(H,23,24)
InChIKey
YLUNPFSUASAZGE-UHFFFAOYSA-N
Compound name
2-fluoro-N-pentan-3-yl-11H-indeno[1,2-b]quinolin-10-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.16888 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17616 176.9
[M+Na]+ 343.15810 185.6
[M-H]- 319.16160 180.6
[M+NH4]+ 338.20270 194.8
[M+K]+ 359.13204 178.4
[M+H-H2O]+ 303.16614 167.8
[M+HCOO]- 365.16708 195.0
[M+CH3COO]- 379.18273 187.4
[M+Na-2H]- 341.14355 180.6
[M]+ 320.16833 177.6
[M]- 320.16943 177.6
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.