CID 16072513

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

Structural Information

Molecular Formula
C26H27N3
SMILES
C1C2CC3CC1CC(C2)C3C4=NC5=CC=CC=C5C(=C4)/C=N\NC6=CC=CC=C6
InChI
InChI=1S/C26H27N3/c1-2-6-22(7-3-1)29-27-16-21-15-25(28-24-9-5-4-8-23(21)24)26-19-11-17-10-18(13-19)14-20(26)12-17/h1-9,15-20,26,29H,10-14H2/b27-16-
InChIKey
WNXMPKLFAMLKFM-YUMHPJSZSA-N
Compound name
N-[(Z)-[2-(2-adamantyl)quinolin-4-yl]methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.2205 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22778 176.7
[M+Na]+ 404.20972 176.2
[M-H]- 380.21322 177.5
[M+NH4]+ 399.25432 191.7
[M+K]+ 420.18366 169.5
[M+H-H2O]+ 364.21776 163.6
[M+HCOO]- 426.21870 183.8
[M+CH3COO]- 440.23435 182.1
[M+Na-2H]- 402.19517 187.0
[M]+ 381.21995 174.4
[M]- 381.22105 174.4
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.