CID 9579221

1-(1-adamantyl)-n-[3-(4-methylpiperazin-1-yl)prop-1-ynoxy]-1-phenyl-methanimine

Structural Information

Molecular Formula
C25H33N3O
SMILES
CN1CCN(CC1)CC#CO/N=C(\C2=CC=CC=C2)/C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C25H33N3O/c1-27-9-11-28(12-10-27)8-5-13-29-26-24(23-6-3-2-4-7-23)25-17-20-14-21(18-25)16-22(15-20)19-25/h2-4,6-7,20-22H,8-12,14-19H2,1H3/b26-24+
InChIKey
SFJLCVUJPOIXIL-SHHOIMCASA-N
Compound name
(Z)-1-(1-adamantyl)-N-[3-(4-methylpiperazin-1-yl)prop-1-ynoxy]-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.26236 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.26964 188.5
[M+Na]+ 414.25158 190.8
[M-H]- 390.25508 184.6
[M+NH4]+ 409.29618 201.5
[M+K]+ 430.22552 176.8
[M+H-H2O]+ 374.25962 171.0
[M+HCOO]- 436.26056 186.1
[M+CH3COO]- 450.27621 191.0
[M+Na-2H]- 412.23703 192.8
[M]+ 391.26181 179.4
[M]- 391.26291 179.4
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.