CID 27387

Isonicotinic acid, 2-undecylhydrazide

Structural Information

Molecular Formula
C17H29N3O
SMILES
CCCCCCCCCCCNNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C17H29N3O/c1-2-3-4-5-6-7-8-9-10-13-19-20-17(21)16-11-14-18-15-12-16/h11-12,14-15,19H,2-10,13H2,1H3,(H,20,21)
InChIKey
ASPHVMZAORPPAC-UHFFFAOYSA-N
Compound name
N'-undecylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.23105 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.23833 174.4
[M+Na]+ 314.22027 176.6
[M-H]- 290.22377 174.8
[M+NH4]+ 309.26487 187.7
[M+K]+ 330.19421 172.8
[M+H-H2O]+ 274.22831 165.2
[M+HCOO]- 336.22925 196.4
[M+CH3COO]- 350.24490 209.2
[M+Na-2H]- 312.20572 177.8
[M]+ 291.23050 176.2
[M]- 291.23160 176.2
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