CID 2963

Dcvj

Structural Information

Molecular Formula
C16H15N3
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)C=C(C#N)C#N
InChI
InChI=1S/C16H15N3/c17-10-13(11-18)7-12-8-14-3-1-5-19-6-2-4-15(9-12)16(14)19/h7-9H,1-6H2
InChIKey
LROAUBRDKLVBCP-UHFFFAOYSA-N
Compound name
2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

311
Patents

249.1266 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 189.4
[M+Na]+ 272.11582 197.9
[M+NH4]+ 267.16042 190.7
[M+K]+ 288.08976 185.5
[M-H]- 248.11932 179.7
[M+Na-2H]- 270.10127 186.5
[M]+ 249.12605 186.6
[M]- 249.12715 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe