CID 6410486

5-(3-(dimethylamino)propyl)-8-nitro-5h-pyridazino(3,4-b)(1,4)benzoxazine

Structural Information

Molecular Formula
C15H17N5O3
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC3=C1C=CN=N3
InChI
InChI=1S/C15H17N5O3/c1-18(2)8-3-9-19-12-5-4-11(20(21)22)10-14(12)23-15-13(19)6-7-16-17-15/h4-7,10H,3,8-9H2,1-2H3
InChIKey
JWJLTVQQUJAQCB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(8-nitropyridazino[3,4-b][1,4]benzoxazin-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13315 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14043 169.7
[M+Na]+ 338.12237 184.1
[M+NH4]+ 333.16697 176.7
[M+K]+ 354.09631 180.4
[M-H]- 314.12587 174.5
[M+Na-2H]- 336.10782 174.7
[M]+ 315.13260 173.0
[M]- 315.13370 173.0
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.