CID 3075667

2-pyrimidinecarboxylic acid, 2-(phenylmethyl)hydrazide

Structural Information

Molecular Formula
C12H12N4O
SMILES
C1=CC=C(C=C1)CNNC(=O)C2=NC=CC=N2
InChI
InChI=1S/C12H12N4O/c17-12(11-13-7-4-8-14-11)16-15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H,16,17)
InChIKey
SBRZYSSCXNKQFO-UHFFFAOYSA-N
Compound name
N'-benzylpyrimidine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

228.1011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10838 150.5
[M+Na]+ 251.09032 163.0
[M+NH4]+ 246.13492 157.7
[M+K]+ 267.06426 156.3
[M-H]- 227.09382 154.4
[M+Na-2H]- 249.07577 160.2
[M]+ 228.10055 153.1
[M]- 228.10165 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.