CID 6410493

Brn 1091852

Structural Information

Molecular Formula
C17H19ClN4O2
SMILES
CC(=O)C1=CC2=C(C=C1)N(C3=CC(=NN=C3O2)Cl)CCCN(C)C
InChI
InChI=1S/C17H19ClN4O2/c1-11(23)12-5-6-13-15(9-12)24-17-14(10-16(18)19-20-17)22(13)8-4-7-21(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKey
WXFOZRBVSXPTFE-UHFFFAOYSA-N
Compound name
1-[3-chloro-5-[3-(dimethylamino)propyl]pyridazino[3,4-b][1,4]benzoxazin-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.11966 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12694 182.2
[M+Na]+ 369.10888 191.3
[M-H]- 345.11238 185.1
[M+NH4]+ 364.15348 193.5
[M+K]+ 385.08282 187.4
[M+H-H2O]+ 329.11692 172.2
[M+HCOO]- 391.11786 193.5
[M+CH3COO]- 405.13351 219.7
[M+Na-2H]- 367.09433 187.0
[M]+ 346.11911 188.6
[M]- 346.12021 188.6
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.