CID 6080923

Nsc 119751

Structural Information

Molecular Formula
C22H21N
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)/C=C\4/C=CC5=CC=CC=C54
InChI
InChI=1S/C22H21N/c1-2-8-21-17(5-1)9-10-18(21)13-16-14-19-6-3-11-23-12-4-7-20(15-16)22(19)23/h1-2,5,8-10,13-15H,3-4,6-7,11-12H2/b18-13-
InChIKey
FFYXWTARKYNAGZ-AQTBWJFISA-N
Compound name
7-[(Z)-inden-1-ylidenemethyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1674 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17468 171.4
[M+Na]+ 322.15662 177.3
[M-H]- 298.16012 177.3
[M+NH4]+ 317.20122 189.6
[M+K]+ 338.13056 169.3
[M+H-H2O]+ 282.16466 161.8
[M+HCOO]- 344.16560 186.0
[M+CH3COO]- 358.18125 181.1
[M+Na-2H]- 320.14207 174.6
[M]+ 299.16685 166.6
[M]- 299.16795 166.6
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.