CID 379708

Nsc664683

Structural Information

Molecular Formula
C17H19ClN2O2
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H19ClN2O2/c18-15-2-1-11(6-16(15)20(21)22)10-19-17-7-12-3-13(8-17)5-14(4-12)9-17/h1-2,6,10,12-14H,3-5,7-9H2
InChIKey
HGIJWSFUOLYHDT-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(4-chloro-3-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1135 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12078 166.9
[M+Na]+ 341.10272 168.3
[M-H]- 317.10622 165.9
[M+NH4]+ 336.14732 188.0
[M+K]+ 357.07666 160.0
[M+H-H2O]+ 301.11076 163.9
[M+HCOO]- 363.11170 173.2
[M+CH3COO]- 377.12735 211.3
[M+Na-2H]- 339.08817 178.4
[M]+ 318.11295 167.8
[M]- 318.11405 167.8
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.