CID 3004105

Nsc628240

Structural Information

Molecular Formula
C21H30N2O
SMILES
CN(C)CC/[N+](=C(\C1=CC=CC=C1)/C23CC4CC(C2)CC(C4)C3)/[O-]
InChI
InChI=1S/C21H30N2O/c1-22(2)8-9-23(24)20(19-6-4-3-5-7-19)21-13-16-10-17(14-21)12-18(11-16)15-21/h3-7,16-18H,8-15H2,1-2H3/b23-20-
InChIKey
QRGIEPPIPNRNHB-ATJXCDBQSA-N
Compound name
1-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-1-phenylmethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 174.5
[M+Na]+ 349.22502 170.9
[M-H]- 325.22852 172.2
[M+NH4]+ 344.26962 193.7
[M+K]+ 365.19896 163.8
[M+H-H2O]+ 309.23306 169.7
[M+HCOO]- 371.23400 181.3
[M+CH3COO]- 385.24965 217.4
[M+Na-2H]- 347.21047 183.1
[M]+ 326.23525 171.3
[M]- 326.23635 171.3
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.