CID 214479

2h-pyrido(1,2-a)pyrazine, octahydro-2-(3-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-ylidene)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C26H32N2
SMILES
C1CCN2CCN(CC2C1)CCC=C3C4=CC=CC=C4CCC5=CC=CC=C53
InChI
InChI=1S/C26H32N2/c1-3-11-24-21(8-1)14-15-22-9-2-4-12-25(22)26(24)13-7-16-27-18-19-28-17-6-5-10-23(28)20-27/h1-4,8-9,11-13,23H,5-7,10,14-20H2
InChIKey
FYHQUVSGCKLQDV-UHFFFAOYSA-N
Compound name
2-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.25656 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.263836 194.1
[M+Na]+ 395.245778 196.2
[M-H]- 371.249284 198.7
[M+NH4]+ 390.290383 204.9
[M+K]+ 411.219718 190.7
[M+H-H2O]+ 355.253820 183.5
[M+HCOO]- 417.254761 202.4
[M+CH3COO]- 431.270411 199.8
[M+Na-2H]- 393.231226 195.4
[M]+ 372.25601142 183.1
[M]- 372.25710858 183.1
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

No patent data available for this compound.