CID 6410487

Brn 1094072

Structural Information

Molecular Formula
C17H21N5O4
SMILES
CCN(CC)CCOC1=NN=C2C(=C1)N(C3=C(O2)C=C(C=C3)[N+](=O)[O-])C
InChI
InChI=1S/C17H21N5O4/c1-4-21(5-2)8-9-25-16-11-14-17(19-18-16)26-15-10-12(22(23)24)6-7-13(15)20(14)3/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKey
DMFUKAKOOGATLA-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(5-methyl-8-nitropyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15936 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.166636 184.1
[M+Na]+ 382.148578 190.2
[M-H]- 358.152084 187.2
[M+NH4]+ 377.193183 192.8
[M+K]+ 398.122518 184.3
[M+H-H2O]+ 342.156620 177.6
[M+HCOO]- 404.157561 201.8
[M+CH3COO]- 418.173211 217.8
[M+Na-2H]- 380.134026 193.1
[M]+ 359.15881142 188.0
[M]- 359.15990858 188.0
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.