CID 364591

Nsc631081

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H20N2O2/c20-19(21)16-3-1-12(2-4-16)11-18-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,11,13-15H,5-10H2
InChIKey
AKPYBCMNDWXYSG-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(4-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.15247 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 156.9
[M+Na]+ 307.14169 156.9
[M-H]- 283.14519 156.0
[M+NH4]+ 302.18629 178.3
[M+K]+ 323.11563 149.7
[M+H-H2O]+ 267.14973 152.5
[M+HCOO]- 329.15067 167.6
[M+CH3COO]- 343.16632 206.8
[M+Na-2H]- 305.12714 169.9
[M]+ 284.15192 155.2
[M]- 284.15302 155.2
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.