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]+ 373.26384 194.1
[M+Na]+ 395.24578 196.2
[M-H]- 371.24928 198.7
[M+NH4]+ 390.29038 204.9
[M+K]+ 411.21972 190.7
[M+H-H2O]+ 355.25382 183.5
[M+HCOO]- 417.25476 202.4
[M+CH3COO]- 431.27041 199.8
[M+Na-2H]- 393.23123 195.4
[M]+ 372.25601 183.1
[M]- 372.25711 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.