CID 3049408

Brn 0675891

Structural Information

Molecular Formula
C10H7N5O3
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])NN=C(C#N)C#N
InChI
InChI=1S/C10H7N5O3/c1-18-10-4-8(15(16)17)2-3-9(10)14-13-7(5-11)6-12/h2-4,14H,1H3
InChIKey
DAASNIXNXBRHQG-UHFFFAOYSA-N
Compound name
2-[(2-methoxy-4-nitrophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.05489 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06217 179.9
[M+Na]+ 268.04411 187.2
[M+NH4]+ 263.08871 179.4
[M+K]+ 284.01805 178.9
[M-H]- 244.04761 170.9
[M+Na-2H]- 266.02956 178.1
[M]+ 245.05434 176.9
[M]- 245.05544 176.9
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.