CID 225362

Plurisin 1

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1=CC=C(C=C1)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C12H11N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)
InChIKey
HUDWXDLBWRHCKO-UHFFFAOYSA-N
Compound name
N'-phenylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

162
Patents

213.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.097486 144.7
[M+Na]+ 236.079428 150.5
[M-H]- 212.082934 149.9
[M+NH4]+ 231.124033 160.8
[M+K]+ 252.053368 147.2
[M+H-H2O]+ 196.087470 136.1
[M+HCOO]- 258.088411 170.0
[M+CH3COO]- 272.104061 189.9
[M+Na-2H]- 234.064876 153.8
[M]+ 213.08966142 142.2
[M]- 213.09075858 142.2
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