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]+ 274.19138 163.2
[M+Na]+ 296.17332 170.6
[M-H]- 272.17682 169.9
[M+NH4]+ 291.21792 177.5
[M+K]+ 312.14726 166.5
[M+H-H2O]+ 256.18136 156.9
[M+HCOO]- 318.18230 183.8
[M+CH3COO]- 332.19795 207.4
[M+Na-2H]- 294.15877 166.3
[M]+ 273.18355 164.7
[M]- 273.18465 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.