CID 205916

Brn 4016888

Structural Information

Molecular Formula
C20H20ClN3O2
SMILES
CNC(=O)CN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl
InChI
InChI=1S/C20H20ClN3O2/c1-22-18(25)11-24-17-7-6-14(21)10-16(17)20-15-5-3-2-4-13(15)8-9-23(20)12-19(24)26/h2-7,10,20H,8-9,11-12H2,1H3,(H,22,25)
InChIKey
SYIANJIYPRACFW-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-oxo-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13168 184.7
[M+Na]+ 392.11362 193.2
[M-H]- 368.11712 188.9
[M+NH4]+ 387.15822 197.8
[M+K]+ 408.08756 190.6
[M+H-H2O]+ 352.12166 176.3
[M+HCOO]- 414.12260 194.4
[M+CH3COO]- 428.13825 193.6
[M+Na-2H]- 390.09907 188.7
[M]+ 369.12385 182.8
[M]- 369.12495 182.8
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.