CID 14597089

2,6-bis(picrylamino)-3,5-dinitropyridine

Structural Information

Molecular Formula
C17H7N11O16
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C(=N2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C17H7N11O16/c29-21(30)6-1-8(23(33)34)14(9(2-6)24(35)36)18-16-12(27(41)42)5-13(28(43)44)17(20-16)19-15-10(25(37)38)3-7(22(31)32)4-11(15)26(39)40/h1-5H,(H2,18,19,20)
InChIKey
YSSXHRVRZWIAKV-UHFFFAOYSA-N
Compound name
3,5-dinitro-2-N,6-N-bis(2,4,6-trinitrophenyl)pyridine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

296
Patents

621.0072 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.01448 229.3
[M+Na]+ 643.99642 229.7
[M-H]- 619.99992 229.3
[M+NH4]+ 639.04102 229.7
[M+K]+ 659.97036 230.4
[M+H-H2O]+ 604.00446 229.6
[M+HCOO]- 666.00540 230.6
[M+CH3COO]- 680.02105 228.7
[M+Na-2H]- 641.98187 232.0
[M]+ 621.00665 229.7
[M]- 621.00775 229.7
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.