CID 489542

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

Structural Information

Molecular Formula
C19H18N4O
SMILES
CCN1C2=CC=CC=C2N(C(=O)C3=C1N(N=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C19H18N4O/c1-3-22-16-11-7-8-12-17(16)23(14-9-5-4-6-10-14)19(24)15-13-20-21(2)18(15)22/h4-13H,3H2,1-2H3
InChIKey
XKCIZXHWJVEVJR-UHFFFAOYSA-N
Compound name
10-ethyl-1-methyl-5-phenylpyrazolo[4,3-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.14807 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 178.8
[M+Na]+ 341.13729 189.2
[M-H]- 317.14079 184.2
[M+NH4]+ 336.18189 191.4
[M+K]+ 357.11123 185.9
[M+H-H2O]+ 301.14533 168.1
[M+HCOO]- 363.14627 195.0
[M+CH3COO]- 377.16192 189.0
[M+Na-2H]- 339.12274 181.7
[M]+ 318.14752 178.1
[M]- 318.14862 178.1
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.