CID 103627

52371-25-2

Structural Information

Molecular Formula
C18H18N2
SMILES
CN1C2CCC(C1=N)(C3=CC=CC=C23)C4=CC=CC=C4
InChI
InChI=1S/C18H18N2/c1-20-16-11-12-18(17(20)19,13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-10,16,19H,11-12H2,1H3
InChIKey
GKSKLFJYKBUQOO-UHFFFAOYSA-N
Compound name
9-methyl-1-phenyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-10-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 158.4
[M+Na]+ 285.13622 173.2
[M+NH4]+ 280.18082 171.6
[M+K]+ 301.11016 161.2
[M-H]- 261.13972 162.2
[M+Na-2H]- 283.12167 163.6
[M]+ 262.14645 162.0
[M]- 262.14755 162.0
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.