CID 479737

6-(cyclopropylmethyl)-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC1=CC2=C(C=C1)OC3=C(C=CN=N3)C(=O)N2CC4CC4
InChI
InChI=1S/C16H15N3O2/c1-10-2-5-14-13(8-10)19(9-11-3-4-11)16(20)12-6-7-17-18-15(12)21-14/h2,5-8,11H,3-4,9H2,1H3
InChIKey
YYQYZZAWNAPKTC-UHFFFAOYSA-N
Compound name
6-(cyclopropylmethyl)-8-methylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 170.5
[M+Na]+ 304.10564 181.1
[M-H]- 280.10914 177.2
[M+NH4]+ 299.15024 178.2
[M+K]+ 320.07958 180.0
[M+H-H2O]+ 264.11368 160.8
[M+HCOO]- 326.11462 186.3
[M+CH3COO]- 340.13027 180.7
[M+Na-2H]- 302.09109 176.3
[M]+ 281.11587 172.0
[M]- 281.11697 172.0
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.