CID 27577

2-(2-thujyl)hydrazide of isonicotinic acid dihydrochloride

Structural Information

Molecular Formula
C16H23N3O
SMILES
CC1CC(C2(C1C2)C(C)C)NNC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H23N3O/c1-10(2)16-9-13(16)11(3)8-14(16)18-19-15(20)12-4-6-17-7-5-12/h4-7,10-11,13-14,18H,8-9H2,1-3H3,(H,19,20)
InChIKey
KCGOJFBGYJTXFU-UHFFFAOYSA-N
Compound name
N'-(4-methyl-1-propan-2-yl-2-bicyclo[3.1.0]hexanyl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.191376 163.2
[M+Na]+ 296.173318 170.6
[M-H]- 272.176824 169.9
[M+NH4]+ 291.217923 177.5
[M+K]+ 312.147258 166.5
[M+H-H2O]+ 256.181360 156.9
[M+HCOO]- 318.182301 183.8
[M+CH3COO]- 332.197951 207.4
[M+Na-2H]- 294.158766 166.3
[M]+ 273.18355142 164.7
[M]- 273.18464858 164.7
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.