CID 489539

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

Structural Information

Molecular Formula
C15H18N4O
SMILES
CC(C)N1C2=CC=CC=C2N(C(=O)C3=C1N(N=C3)C)C
InChI
InChI=1S/C15H18N4O/c1-10(2)19-13-8-6-5-7-12(13)17(3)15(20)11-9-16-18(4)14(11)19/h5-10H,1-4H3
InChIKey
VVWBJHUQLMMMSU-UHFFFAOYSA-N
Compound name
1,5-dimethyl-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

270.14807 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 163.0
[M+Na]+ 293.13729 173.4
[M-H]- 269.14079 165.7
[M+NH4]+ 288.18189 178.0
[M+K]+ 309.11123 172.2
[M+H-H2O]+ 253.14533 153.8
[M+HCOO]- 315.14627 178.4
[M+CH3COO]- 329.16192 174.1
[M+Na-2H]- 291.12274 165.3
[M]+ 270.14752 163.0
[M]- 270.14862 163.0
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.