CID 467428

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

Structural Information

Molecular Formula
C15H17N5O
SMILES
CCCN1C2=C(C=C(C=C2)N)N(C(=O)C3=C1N=NC=C3)C
InChI
InChI=1S/C15H17N5O/c1-3-8-20-12-5-4-10(16)9-13(12)19(2)15(21)11-6-7-17-18-14(11)20/h4-7,9H,3,8,16H2,1-2H3
InChIKey
YMXJUIMSRFHNMZ-UHFFFAOYSA-N
Compound name
8-amino-6-methyl-11-propylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.1433 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15058 168.9
[M+Na]+ 306.13252 179.0
[M-H]- 282.13602 170.8
[M+NH4]+ 301.17712 181.1
[M+K]+ 322.10646 177.7
[M+H-H2O]+ 266.14056 158.7
[M+HCOO]- 328.14150 184.8
[M+CH3COO]- 342.15715 179.0
[M+Na-2H]- 304.11797 174.6
[M]+ 283.14275 167.3
[M]- 283.14385 167.3
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.