CID 44147322

94108-98-2

Structural Information

Molecular Formula
C20H21N10O4
SMILES
C/C(=N\N=C\1/C2=C(C=CC(=C2)[N+](=O)[O-])N(N1C)C)/N=NC3=[N+](N(C4=C3C=C(C=C4)[N+](=O)[O-])C)C
InChI
InChI=1S/C20H21N10O4/c1-12(21-23-19-15-10-13(29(31)32)6-8-17(15)25(2)27(19)4)22-24-20-16-11-14(30(33)34)7-9-18(16)26(3)28(20)5/h6-11H,1-5H3/q+1
InChIKey
UBMKJNGRHBOVGF-UHFFFAOYSA-N
Compound name
N-(1,2-dimethyl-5-nitroindazol-2-ium-3-yl)imino-N'-[(E)-(1,2-dimethyl-5-nitroindazol-3-ylidene)amino]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.1747 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.18198 207.4
[M+Na]+ 488.16392 221.9
[M+NH4]+ 483.20852 212.1
[M+K]+ 504.13786 221.1
[M-H]- 464.16742 215.6
[M+Na-2H]- 486.14937 213.1
[M]+ 465.17415 210.9
[M]- 465.17525 210.9
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.