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]+ 263.154276 158.0
[M+Na]+ 285.136218 163.8
[M-H]- 261.139724 159.4
[M+NH4]+ 280.180823 179.4
[M+K]+ 301.110158 157.8
[M+H-H2O]+ 245.144260 148.5
[M+HCOO]- 307.145201 170.5
[M+CH3COO]- 321.160851 167.8
[M+Na-2H]- 283.121666 169.4
[M]+ 262.14645142 157.1
[M]- 262.14754858 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.