CID 5472183

Nsc716809

Structural Information

Molecular Formula
C24H24N2O2
SMILES
C1C[C@H]2N/C(=C\C(=O)C3=CC=CC=C3)/C(=C/C(=O)C4=CC=CC=C4)/N[C@@H]2CC1
InChI
InChI=1S/C24H24N2O2/c27-23(17-9-3-1-4-10-17)15-21-22(16-24(28)18-11-5-2-6-12-18)26-20-14-8-7-13-19(20)25-21/h1-6,9-12,15-16,19-20,25-26H,7-8,13-14H2/b21-15-,22-16-/t19-,20-/m1/s1
InChIKey
RRRCNKSFZNYVIJ-PBVSXRTBSA-N
Compound name
(2Z)-2-[(3Z,4aR,8aR)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.18378 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19106 191.3
[M+Na]+ 395.17300 192.3
[M-H]- 371.17650 193.8
[M+NH4]+ 390.21760 198.4
[M+K]+ 411.14694 183.6
[M+H-H2O]+ 355.18104 180.1
[M+HCOO]- 417.18198 199.3
[M+CH3COO]- 431.19763 196.3
[M+Na-2H]- 393.15845 190.1
[M]+ 372.18323 179.3
[M]- 372.18433 179.3
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.