CID 489543

Pyrazolo[3,4-b][1,5]benzodiazepin-4(1h)-one, 5,10-dihydro-1-methyl-10-(1-methylethyl)-5-phenyl-

Structural Information

Molecular Formula
C20H20N4O
SMILES
CC(C)N1C2=CC=CC=C2N(C(=O)C3=C1N(N=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C20H20N4O/c1-14(2)23-17-11-7-8-12-18(17)24(15-9-5-4-6-10-15)20(25)16-13-21-22(3)19(16)23/h4-14H,1-3H3
InChIKey
VSBQLHBLQFBOHM-UHFFFAOYSA-N
Compound name
1-methyl-5-phenyl-10-propan-2-ylpyrazolo[4,3-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 182.2
[M+Na]+ 355.15292 191.8
[M-H]- 331.15642 187.6
[M+NH4]+ 350.19752 194.2
[M+K]+ 371.12686 188.9
[M+H-H2O]+ 315.16096 171.6
[M+HCOO]- 377.16190 197.1
[M+CH3COO]- 391.17755 191.9
[M+Na-2H]- 353.13837 183.7
[M]+ 332.16315 181.3
[M]- 332.16425 181.3
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.