CID 54556283

2-[2-methyl-6-[2-(2,3,6,7-tetrahydro-1h,5h-benzo[ij]quinolizin-9-yl)ethenyl]-4h-pyran-4-ylidene]propanedinitrile

Structural Information

Molecular Formula
C23H21N3O
SMILES
CC1=CC(=C(C#N)C#N)C=C(O1)C=CC2=CC3=C4C(=C2)CCCN4CCC3
InChI
InChI=1S/C23H21N3O/c1-16-10-20(21(14-24)15-25)13-22(27-16)7-6-17-11-18-4-2-8-26-9-3-5-19(12-17)23(18)26/h6-7,10-13H,2-5,8-9H2,1H3
InChIKey
ZNJRONVKWRHYBF-UHFFFAOYSA-N
Compound name
2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3085
Patents

355.16846 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17574 188.8
[M+Na]+ 378.15768 198.2
[M-H]- 354.16118 191.5
[M+NH4]+ 373.20228 196.4
[M+K]+ 394.13162 186.6
[M+H-H2O]+ 338.16572 171.5
[M+HCOO]- 400.16666 193.0
[M+CH3COO]- 414.18231 192.7
[M+Na-2H]- 376.14313 187.8
[M]+ 355.16791 177.6
[M]- 355.16901 177.6
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.