CID 3075668

2-pyrimidinecarboxylic acid, 2-(1-phenylethyl)hydrazide

Structural Information

Molecular Formula
C13H14N4O
SMILES
CC(C1=CC=CC=C1)NNC(=O)C2=NC=CC=N2
InChI
InChI=1S/C13H14N4O/c1-10(11-6-3-2-4-7-11)16-17-13(18)12-14-8-5-9-15-12/h2-10,16H,1H3,(H,17,18)
InChIKey
QSZXRSDKNKBJKD-UHFFFAOYSA-N
Compound name
N'-(1-phenylethyl)pyrimidine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 154.0
[M+Na]+ 265.105978 159.0
[M-H]- 241.109484 157.7
[M+NH4]+ 260.150583 167.4
[M+K]+ 281.079918 155.8
[M+H-H2O]+ 225.114020 144.3
[M+HCOO]- 287.114961 176.6
[M+CH3COO]- 301.130611 196.5
[M+Na-2H]- 263.091426 161.5
[M]+ 242.11621142 151.7
[M]- 242.11730858 151.7
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.