CID 12492810

40443-02-5

Structural Information

Molecular Formula
C18H15N
SMILES
C1CC2=CC=CC=C2C(=CCC#N)C3=CC=CC=C31
InChI
InChI=1S/C18H15N/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18/h1-4,6-10H,5,11-12H2
InChIKey
YEBLOAZQUPEKOI-UHFFFAOYSA-N
Compound name
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.12045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12773 160.3
[M+Na]+ 268.10967 170.0
[M-H]- 244.11317 165.5
[M+NH4]+ 263.15427 177.1
[M+K]+ 284.08361 164.2
[M+H-H2O]+ 228.11771 149.8
[M+HCOO]- 290.11865 176.8
[M+CH3COO]- 304.13430 170.5
[M+Na-2H]- 266.09512 166.1
[M]+ 245.11990 152.1
[M]- 245.12100 152.1
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

patents stripe