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 158.0
[M+Na]+ 285.13622 163.8
[M-H]- 261.13972 159.4
[M+NH4]+ 280.18082 179.4
[M+K]+ 301.11016 157.8
[M+H-H2O]+ 245.14426 148.5
[M+HCOO]- 307.14520 170.5
[M+CH3COO]- 321.16085 167.8
[M+Na-2H]- 283.12167 169.4
[M]+ 262.14645 157.1
[M]- 262.14755 157.1
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.