CID 470392

2-benzylpyridine-4-carbohydrazide

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC=C(C=C1)CC2=NC=CC(=C2)C(=O)NN
InChI
InChI=1S/C13H13N3O/c14-16-13(17)11-6-7-15-12(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8,14H2,(H,16,17)
InChIKey
KBTGPNGZJONDLB-UHFFFAOYSA-N
Compound name
2-benzylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

227.10587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 150.2
[M+Na]+ 250.09509 156.6
[M-H]- 226.09859 155.2
[M+NH4]+ 245.13969 165.8
[M+K]+ 266.06903 152.6
[M+H-H2O]+ 210.10313 141.7
[M+HCOO]- 272.10407 174.6
[M+CH3COO]- 286.11972 193.4
[M+Na-2H]- 248.08054 156.9
[M]+ 227.10532 147.5
[M]- 227.10642 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe