CID 6410485

2-chloro-7-nitro-10-(3-dimethylaminopropyl)-3,4-diazaphenoxazine

Structural Information

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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10146 176.1
[M+Na]+ 372.08340 191.6
[M+NH4]+ 367.12800 183.3
[M+K]+ 388.05734 187.1
[M-H]- 348.08690 181.0
[M+Na-2H]- 370.06885 180.8
[M]+ 349.09363 179.9
[M]- 349.09473 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.