CID 9554605

101077-16-1

Structural Information

Molecular Formula
C19H21N3
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)/C=N/NC4=CC=CC=C4
InChI
InChI=1S/C19H21N3/c1-2-8-18(9-3-1)21-20-14-15-12-16-6-4-10-22-11-5-7-17(13-15)19(16)22/h1-3,8-9,12-14,21H,4-7,10-11H2/b20-14+
InChIKey
BUYCYGARAMIHME-XSFVSMFZSA-N
Compound name
N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.17355 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.180826 165.5
[M+Na]+ 314.162768 169.3
[M-H]- 290.166274 171.3
[M+NH4]+ 309.207373 181.1
[M+K]+ 330.136708 163.6
[M+H-H2O]+ 274.170810 155.0
[M+HCOO]- 336.171751 184.3
[M+CH3COO]- 350.187401 175.1
[M+Na-2H]- 312.148216 173.6
[M]+ 291.17300142 160.6
[M]- 291.17409858 160.6
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.