CID 3070991

Brn 4592754

Structural Information

Molecular Formula
C20H16Cl2N4O2
SMILES
CNC(=O)C1=C2CN=C(C3=C(N2CC(=O)N1)C=CC(=C3)Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C20H16Cl2N4O2/c1-23-20(28)19-16-9-24-18(12-4-2-3-5-14(12)22)13-8-11(21)6-7-15(13)26(16)10-17(27)25-19/h2-8H,9-10H2,1H3,(H,23,28)(H,25,27)
InChIKey
WLGRESUNHRJDDE-UHFFFAOYSA-N
Compound name
9-chloro-7-(2-chlorophenyl)-N-methyl-2-oxo-3,5-dihydro-1H-pyrazino[1,2-a][1,4]benzodiazepine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.06503 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.07231 192.3
[M+Na]+ 437.05425 206.3
[M+NH4]+ 432.09885 198.6
[M+K]+ 453.02819 199.1
[M-H]- 413.05775 195.4
[M+Na-2H]- 435.03970 197.6
[M]+ 414.06448 195.7
[M]- 414.06558 195.7
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.