CID 6410510

10h-pyridazino(4,5-b)(1,4)benzoxazine, 1-(2-(diethylamino)ethoxy)-10-methyl-7-nitro-, hemihydrate

Structural Information

Molecular Formula
C17H21N5O4
SMILES
CCN(CC)CCOC1=C2C(=CN=N1)OC3=C(N2C)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H21N5O4/c1-4-21(5-2)8-9-25-17-16-15(11-18-19-17)26-14-10-12(22(23)24)6-7-13(14)20(16)3/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKey
TVRJOWAFBAMZTP-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(10-methyl-7-nitropyridazino[4,5-b][1,4]benzoxazin-1-yl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15936 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.16664 182.4
[M+Na]+ 382.14858 196.1
[M+NH4]+ 377.19318 188.4
[M+K]+ 398.12252 192.7
[M-H]- 358.15208 186.7
[M+Na-2H]- 380.13403 186.0
[M]+ 359.15881 185.4
[M]- 359.15991 185.4
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.