CID 5746933

81016-47-9

Structural Information

Molecular Formula
C12H13N5O3
SMILES
CC1=CC=C(C=C1)NNC(=O)C2=NNC(=C2[N+](=O)[O-])C
InChI
InChI=1S/C12H13N5O3/c1-7-3-5-9(6-4-7)14-16-12(18)10-11(17(19)20)8(2)13-15-10/h3-6,14H,1-2H3,(H,13,15)(H,16,18)
InChIKey
MHQVMSOAZKBBPC-UHFFFAOYSA-N
Compound name
5-methyl-N'-(4-methylphenyl)-4-nitro-1H-pyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10184 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10912 158.7
[M+Na]+ 298.09106 169.1
[M+NH4]+ 293.13566 164.0
[M+K]+ 314.06500 169.5
[M-H]- 274.09456 161.8
[M+Na-2H]- 296.07651 164.2
[M]+ 275.10129 160.5
[M]- 275.10239 160.5
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.