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 157.5
[M+Na]+ 298.09106 163.3
[M-H]- 274.09456 161.2
[M+NH4]+ 293.13566 170.4
[M+K]+ 314.06500 155.7
[M+H-H2O]+ 258.09910 153.3
[M+HCOO]- 320.10004 181.7
[M+CH3COO]- 334.11569 194.5
[M+Na-2H]- 296.07651 163.7
[M]+ 275.10129 154.0
[M]- 275.10239 154.0
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.