CID 489538

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

Structural Information

Molecular Formula
C14H16N4O
SMILES
CCN1C2=CC=CC=C2N(C(=O)C3=C1N(N=C3)C)C
InChI
InChI=1S/C14H16N4O/c1-4-18-12-8-6-5-7-11(12)16(2)14(19)10-9-15-17(3)13(10)18/h5-9H,4H2,1-3H3
InChIKey
QYFJXHUXAWRGSH-UHFFFAOYSA-N
Compound name
10-ethyl-1,5-dimethylpyrazolo[4,3-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.13242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 159.5
[M+Na]+ 279.12164 170.5
[M-H]- 255.12514 162.1
[M+NH4]+ 274.16624 175.0
[M+K]+ 295.09558 169.0
[M+H-H2O]+ 239.12968 150.2
[M+HCOO]- 301.13062 176.1
[M+CH3COO]- 315.14627 171.0
[M+Na-2H]- 277.10709 163.1
[M]+ 256.13187 159.6
[M]- 256.13297 159.6
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.