CID 487398

5h-pyridazino[3,4-b][1,5]benzodiazepin-5-one, 11-cyclopropyl-6,11-dihydro-6,8-dimethyl-

Structural Information

Molecular Formula
C16H16N4O
SMILES
CC1=CC2=C(C=C1)N(C3=C(C=CN=N3)C(=O)N2C)C4CC4
InChI
InChI=1S/C16H16N4O/c1-10-3-6-13-14(9-10)19(2)16(21)12-7-8-17-18-15(12)20(13)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3
InChIKey
SUKFSAJIIWNWIQ-UHFFFAOYSA-N
Compound name
11-cyclopropyl-6,8-dimethylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 176.7
[M+Na]+ 303.12164 188.3
[M-H]- 279.12514 181.7
[M+NH4]+ 298.16624 184.7
[M+K]+ 319.09558 185.0
[M+H-H2O]+ 263.12968 166.3
[M+HCOO]- 325.13062 192.1
[M+CH3COO]- 339.14627 186.3
[M+Na-2H]- 301.10709 181.0
[M]+ 280.13187 177.1
[M]- 280.13297 177.1
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.