CID 6410507

Brn 0631097

Structural Information

Molecular Formula
C15H16ClN5O3
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC3=CN=NC(=C31)Cl
InChI
InChI=1S/C15H16ClN5O3/c1-19(2)6-3-7-20-11-5-4-10(21(22)23)8-12(11)24-13-9-17-18-15(16)14(13)20/h4-5,8-9H,3,6-7H2,1-2H3
InChIKey
XSRPXSMSISNFCK-UHFFFAOYSA-N
Compound name
3-(1-chloro-7-nitropyridazino[4,5-b][1,4]benzoxazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.09418 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10146 178.5
[M+Na]+ 372.08340 186.0
[M-H]- 348.08690 181.4
[M+NH4]+ 367.12800 188.5
[M+K]+ 388.05734 178.8
[M+H-H2O]+ 332.09144 173.1
[M+HCOO]- 394.09238 192.0
[M+CH3COO]- 408.10803 213.3
[M+Na-2H]- 370.06885 187.6
[M]+ 349.09363 182.5
[M]- 349.09473 182.5
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.