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
Annotation Hits

0
References

1
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 148.9
[M+Na]+ 251.09032 154.7
[M-H]- 227.09382 152.7
[M+NH4]+ 246.13492 162.9
[M+K]+ 267.06426 151.1
[M+H-H2O]+ 211.09836 139.3
[M+HCOO]- 273.09930 172.9
[M+CH3COO]- 287.11495 192.6
[M+Na-2H]- 249.07577 158.2
[M]+ 228.10055 146.9
[M]- 228.10165 146.9
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

patents stripe