CID 9579228

1-(1-adamantyl)-n-(3-iodoprop-2-ynoxy)-1-phenyl-methanimine

Structural Information

Molecular Formula
C20H22INO
SMILES
C1C2CC3CC1CC(C2)(C3)/C(=N/OCC#CI)/C4=CC=CC=C4
InChI
InChI=1S/C20H22INO/c21-7-4-8-23-22-19(18-5-2-1-3-6-18)20-12-15-9-16(13-20)11-17(10-15)14-20/h1-3,5-6,15-17H,8-14H2/b22-19+
InChIKey
CTWUPIMJUIIVFV-ZBJSNUHESA-N
Compound name
(Z)-1-(1-adamantyl)-N-(3-iodoprop-2-ynoxy)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.07462 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.08190 168.0
[M+Na]+ 442.06384 167.5
[M-H]- 418.06734 160.1
[M+NH4]+ 437.10844 182.8
[M+K]+ 458.03778 160.0
[M+H-H2O]+ 402.07188 152.3
[M+HCOO]- 464.07282 169.0
[M+CH3COO]- 478.08847 170.9
[M+Na-2H]- 440.04929 166.5
[M]+ 419.07407 160.9
[M]- 419.07517 160.9
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.