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 193.9
[M+Na]+ 437.05425 204.7
[M-H]- 413.05775 197.6
[M+NH4]+ 432.09885 203.0
[M+K]+ 453.02819 201.4
[M+H-H2O]+ 397.06229 183.6
[M+HCOO]- 459.06323 199.2
[M+CH3COO]- 473.07888 201.9
[M+Na-2H]- 435.03970 196.6
[M]+ 414.06448 192.7
[M]- 414.06558 192.7
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.