CID 237107

N'-dodecanoylisonicotinohydrazide

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CCCCCCCCCCCC(=O)NNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C18H29N3O2/c1-2-3-4-5-6-7-8-9-10-11-17(22)20-21-18(23)16-12-14-19-15-13-16/h12-15H,2-11H2,1H3,(H,20,22)(H,21,23)
InChIKey
HEKMDVBJCMXAHG-UHFFFAOYSA-N
Compound name
N'-dodecanoylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

319.22598 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23326 181.9
[M+Na]+ 342.21520 183.8
[M-H]- 318.21870 182.4
[M+NH4]+ 337.25980 194.0
[M+K]+ 358.18914 180.4
[M+H-H2O]+ 302.22324 172.6
[M+HCOO]- 364.22418 203.1
[M+CH3COO]- 378.23983 212.9
[M+Na-2H]- 340.20065 183.7
[M]+ 319.22543 184.0
[M]- 319.22653 184.0
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