CID 467431

8-amino-11-cyclopropyl-6-ethyl-pyridazino[4,3-c][1,5]benzodiazepin-5-one

Structural Information

Molecular Formula
C16H17N5O
SMILES
CCN1C2=C(C=CC(=C2)N)N(C3=C(C1=O)C=CN=N3)C4CC4
InChI
InChI=1S/C16H17N5O/c1-2-20-14-9-10(17)3-6-13(14)21(11-4-5-11)15-12(16(20)22)7-8-18-19-15/h3,6-9,11H,2,4-5,17H2,1H3
InChIKey
RYWXBMRORZGCKG-UHFFFAOYSA-N
Compound name
8-amino-11-cyclopropyl-6-ethylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.1433 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15058 179.8
[M+Na]+ 318.13252 190.7
[M-H]- 294.13602 184.5
[M+NH4]+ 313.17712 186.8
[M+K]+ 334.10646 187.3
[M+H-H2O]+ 278.14056 169.3
[M+HCOO]- 340.14150 195.7
[M+CH3COO]- 354.15715 188.8
[M+Na-2H]- 316.11797 184.0
[M]+ 295.14275 179.0
[M]- 295.14385 179.0
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.