CID 6410490

Brn 1008416

Structural Information

Molecular Formula
C15H18N4O
SMILES
CN(C)CCCN1C2=C(N=NC=C2)OC3=CC=CC=C31
InChI
InChI=1S/C15H18N4O/c1-18(2)10-5-11-19-12-6-3-4-7-14(12)20-15-13(19)8-9-16-17-15/h3-4,6-9H,5,10-11H2,1-2H3
InChIKey
CZFRJZFILCBDGC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14807 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 164.1
[M+Na]+ 293.13729 171.9
[M-H]- 269.14079 166.8
[M+NH4]+ 288.18189 177.3
[M+K]+ 309.11123 169.2
[M+H-H2O]+ 253.14533 153.6
[M+HCOO]- 315.14627 181.4
[M+CH3COO]- 329.16192 174.8
[M+Na-2H]- 291.12274 173.1
[M]+ 270.14752 166.8
[M]- 270.14862 166.8
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.