CID 390230

Nsc687522

Structural Information

Molecular Formula
C23H16ClN3
SMILES
C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C23H16ClN3/c1-16-23-25-20-9-5-6-10-21(20)26(23)15-22(17-7-3-2-4-8-17)27(16)19-13-11-18(24)12-14-19/h2-15H,1H2
InChIKey
YBTBCXZAITUMHA-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-methylidene-3-phenylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.10327 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11055 190.9
[M+Na]+ 392.09249 202.9
[M-H]- 368.09599 198.6
[M+NH4]+ 387.13709 203.4
[M+K]+ 408.06643 192.3
[M+H-H2O]+ 352.10053 179.0
[M+HCOO]- 414.10147 204.6
[M+CH3COO]- 428.11712 201.0
[M+Na-2H]- 390.07794 194.2
[M]+ 369.10272 193.2
[M]- 369.10382 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.