CID 16072512

N-[(z)-[2-(2-adamantyl)-4-quinolyl]methyleneamino]-4-fluoro-aniline

Structural Information

Molecular Formula
C26H26FN3
SMILES
C1C2CC3CC1CC(C2)C3C4=NC5=CC=CC=C5C(=C4)/C=N\NC6=CC=C(C=C6)F
InChI
InChI=1S/C26H26FN3/c27-21-5-7-22(8-6-21)30-28-15-20-14-25(29-24-4-2-1-3-23(20)24)26-18-10-16-9-17(12-18)13-19(26)11-16/h1-8,14-19,26,30H,9-13H2/b28-15-
InChIKey
HCFWUCPKRJKYIT-MBTHVWNTSA-N
Compound name
N-[(Z)-[2-(2-adamantyl)quinolin-4-yl]methylideneamino]-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.2111 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21838 183.2
[M+Na]+ 422.20032 183.7
[M-H]- 398.20382 183.0
[M+NH4]+ 417.24492 197.7
[M+K]+ 438.17426 176.5
[M+H-H2O]+ 382.20836 169.2
[M+HCOO]- 444.20930 189.2
[M+CH3COO]- 458.22495 188.2
[M+Na-2H]- 420.18577 192.0
[M]+ 399.21055 180.4
[M]- 399.21165 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.